SCHEMBL4530385

SCHEMBL4530385

Clc1cccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
CDK1 P06493 9/20 1.00
SRC P12931 7/20 1.00
ABL1 P00519 13/20 0.89
PRKCA P17252 9/20 0.89
ABL2 P42684 2/20 0.56
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
CDC7 O00311 1/20 0.52
DBF4 Q9UBU7 1/20 0.52
TTBK1 Q5TCY1 1/20 0.50
TTBK2 Q6IQ55 1/20 0.50

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
SCHEMBL1406521 0.94 EGFR (0.89) EGFRCDK1SRCABL1PRKCA
SCHEMBL6185419 0.94 EGFR (1.00) EGFRCDK1SRCABL1PRKCA
SCHEMBL8580911 0.93 EGFR (0.88) EGFRCDK1SRCABL1PRKCA
Hydrochloric Acid SCHEMBL8653420 0.93 EGFR (0.88) EGFRCDK1SRCABL1PRKCA
SCHEMBL8579561 0.92 EGFR (0.86) EGFRCDK1SRCABL1PRKCA
SCHEMBL8117285 0.91 EGFR (0.85) EGFRCDK1SRCABL1PRKCA
SCHEMBL8579811 0.91 EGFR (0.85) EGFRCDK1SRCABL1PRKCA
SCHEMBL8123060 0.90 EGFR (1.00) EGFRCDK1SRCABL1PRKCA
SCHEMBL8578312 0.90 EGFR (0.81) EGFRCDK1SRCABL1PRKCA
SCHEMBL8579562 0.90 EGFR (0.81) EGFRCDK1SRCABL1PRKCA

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

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819129-B1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2000-08-02 EP claimed
US-5981533-A INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR EPIDERMAL GROWTH FACTOR AND CAN BE USED IN THE CASE OF EPIDERMAL HYPERPROLIFERATION (PSORIASIS) AND AS ANTI-TUMOR AGENTS NOVARTIS AG (CH) 1999-11-09 US claimed
EP-0819129-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-01-21 EP claimed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 WO claimed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
EP-0819129-B1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2000-08-02 EP disclosed
US-5981533-A INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR EPIDERMAL GROWTH FACTOR AND CAN BE USED IN THE CASE OF EPIDERMAL HYPERPROLIFERATION (PSORIASIS) AND AS ANTI-TUMOR AGENTS NOVARTIS AG (CH) 1999-11-09 US disclosed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 WO disclosed
EP-0819129-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-01-21 EP disclosed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 WO disclosed