Itraconazole

Itraconazole

SCHEMBL64913

CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Itraconazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 1.00
ABCG2 Q9UNQ0 3/20 1.00
LMNA P02545 3/20 1.00
CYP51A1 Q16850 3/20 1.00
FYN P06241 2/20 1.00
MEN1 O00255 2/20 1.00
ABCB11 O95342 2/20 1.00
ABCB1 P08183 2/20 1.00
MAPT P10636 2/20 1.00
MAPK1 P28482 2/20 1.00
KMT2A Q03164 2/20 1.00
HIF1A Q16665 2/20 1.00
CYP8B1 Q9UNU6 2/20 1.00
CXCR1 P25024 1/20 1.00
TACR1 P25103 1/20 1.00
AVPR2 P30518 1/20 1.00
CCR4 P51679 1/20 1.00
PDE4D Q08499 1/20 1.00
NR1I2 O75469 2/20 0.75
HSP90AA1 P07900 2/20 0.75

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Itraconazole SCHEMBL14875797 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL16984893 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL14875705 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL18073409 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL23934 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL15948108 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL18241650 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL20464865 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL14875903 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL13575828 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3886 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149415-B1 SHAMPOO COMPOSITION COMPRISING ALKYL GLUCOSIDE PROCTER & GAMBLE (US) 2026-05-20 EP claimed
EP-4255391-B1 LUMINOL FOR USE IN THE TREATMENT OF SEQUELAE OF A SARS-COV-2 INFECTION METRIOPHARM AG (CH) 2026-05-06 EP claimed
EP-3175865-B1 FUNCTIONAL PARTICLES, PROCESS TO OBTAIN THEM, AND THEIR APPLICATIONS SMART INOVATION LDA (PT) 2026-04-15 EP claimed
EP-4337333-B1 SHAMPOO COMPOSITION PROCTER & GAMBLE (US) 2026-04-15 EP claimed
US-20260076872-A1 POLYMER VIALS WITH SUBSTANTIALLY FLAT BOTTOMS AND INJECTION STRETCH BLOW MOLDING METHODS FOR MAKING THE SAME SIO2 MEDICAL PRODUCTS LLC (US) 2026-03-19 US claimed
EP-4076461-B1 LUMATEPERONE FOR USE IN SCHIZOPHRENIA TREATMENT INTRA CELLULAR THERAPIES INC (US) 2026-01-28 EP claimed
EP-4043017-B1 CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2026-01-28 EP claimed
EP-4149416-B1 SHAMPOO COMPOSITION COMPRISING DECYL GLUCOSIDE AND A CATIONIC GUAR PROCTER & GAMBLE (US) 2026-01-21 EP claimed
US-20260007753-A1 DERMAL SKIN PROTECTANT AND CARRIER INSPIRED MAT STRATEGIES LLC (US) 2026-01-08 US claimed
EP-3727369-B1 ANTI-FUNGAL AGENT FOR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE IN A SUBJECT WITH LOSS-OF FUNCTION MUTATION IN THE CX3CR1 GENE UNIV CORNELL (US) 2025-12-17 EP claimed
EP-0243446-B1 ALPHA TOCOPHEROL-BASED VESICLES LIPOSOME CO INC (US) 1995-04-19 EP claimed
EP-0484529-B1 SKIN CREAM PREPARATION FOR EXTERNAL USE HISAMITSU PHARMACEUTICAL CO (JP) 1994-04-27 EP claimed
US-5288471-A Apparatus for preserving biological products OFFICINE DE CARTIGLIANO S.P.A. (IT) 1994-02-22 US claimed
EP-0497099-A1 Method and apparatus for preserving biological products OFFICINE DI CARTIGLIANO S.P.A. (IT) 1992-08-05 EP claimed
EP-0315861-B1 ANTIMYCOTIC COMPOSITIONS OF A NIKKOMYCIN COMPOUND AND AN ANTIMYCOTIC AZOLE BAYER AG (DE) 1992-01-29 EP claimed
US-5045314-A Toxic culture product THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1991-09-03 US claimed
EP-0149197-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING DRUGS WHICH ARE SPARINGLY SOLUBLE IN WATER OR INSTABLE AND METHODS FOR THEIR PREPARATION JANSSEN PHARMACEUTICA N.V. (BE) 1990-03-21 EP claimed
EP-0315861-A1 Antimycotic compositions of a nikkomycin compound and an antimycotic azole BAYER AG (DE) 1989-05-17 EP claimed
US-4781922-A Control of parasitic nematode ova with Bacillus sphaericus THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1988-11-01 US claimed
EP-0149197-A2 Pharmaceutical compositions containing drugs which are sparingly soluble in water or instable and methods for their preparation JANSSEN PHARMACEUTICA N.V. (BE) 1985-07-24 EP claimed