SCHEMBL18878

SCHEMBL18878

Nc1n[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 1.00
KDM4E B2RXH2 4/20 1.00
GAA P10253 3/20 1.00
CYP3A4 P08684 1/20 1.00
JAK2 O60674 5/20 0.57
ALDH1A1 P00352 2/20 0.56
ALPL P05186 1/20 0.56
IDO1 P14902 1/20 0.56
HPGD P15428 1/20 0.56
TTK P33981 1/20 0.56
MAPK10 P53779 1/20 0.56
AURKA O14965 2/20 0.53
CYP1A2 P05177 1/20 0.50
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
AURKB Q96GD4 2/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL29481432 1.00 PDPK1 (1.00) PDPK1KDM4EGAACYP3A4JAK2
Bicarbonate SCHEMBL1573525 0.89 KDM4E (0.80) PDPK1KDM4EGAACYP3A4JAK2
Urea SCHEMBL2190330 0.89 KDM4E (0.80) PDPK1KDM4EGAACYP3A4JAK2
Carbamic Acid SCHEMBL1857015 0.88 KDM4E (0.77) PDPK1KDM4EGAACYP3A4JAK2
SCHEMBL9042255 0.85 KDM4E (0.73) PDPK1KDM4EGAACYP3A4JAK2
Methylethylamine SCHEMBL15526348 0.83 PDPK1 (0.69) PDPK1KDM4EGAACYP3A4JAK2
Trifluoroacetic Acid SCHEMBL18096685 0.82 KDM4E (0.67) PDPK1KDM4EGAACYP3A4JAK2
Benzimidazole SCHEMBL3540063 0.82 PDPK1 (0.67) PDPK1KDM4EGAACYP3A4JAK2
SCHEMBL11744951 0.82 PDPK1 (0.67) PDPK1KDM4EGAACYP3A4JAK2
SCHEMBL1672674 0.77 IDO1 (0.78) PDPK1KDM4EGAACYP3A4ALDH1A1

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 2505 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080001-A Perfluoroalkyl substituted pyrimido [1,2-b ] indazole ketone compound and preparation method thereof 2026-05-26 CN claimed
US-20260076943-A1 METHOD FOR IMPROVING SKELETAL HEALTH UNIV INDIANA TRUSTEES (US) 2026-03-19 US claimed
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP claimed
US-20250277156-A1 USE AND METHOD INNOSPEC LIMITED (GB) 2025-09-04 US claimed
US-20250270463-A1 USE AND METHOD INNOSPEC LIMITED (GB) 2025-08-28 US claimed
CN-120023897-A Preparation method and application method of sugar amine phosphorus-based wood modifier 东北林业大学 2025-05-23 CN claimed
CN-112358434-B Preparation method of 3- (o-cyanobenzyl) indol-2-one compound 湖南理工学院 2025-04-22 CN claimed
CN-116063283-B 3-Amino indazole compound and application thereof 暨南大学 2025-03-25 CN claimed
EP-4514925-A1 USE AND METHOD Innospec Limited (GB) 2025-03-05 EP claimed
EP-4514924-A1 USE AND METHOD Innospec Limited (GB) 2025-03-05 EP claimed
EP-0272212-B1 PROCESS FOR CONTINUALLY PRODUCING AZO OR HYDRAZONE DYES CIBA-GEIGY AG (CH) 1993-09-01 EP claimed
EP-0338672-B1 VISCOSITY INDEX IMPROVER, DISPERSANT AND ANTI-OXIDANT ADDITIVE AND LUBRICATING OIL COMPOSITION CONTAINING SAME TEXACO DEVELOPMENT CORPORATION (US) 1992-06-24 EP claimed
US-5017471-A Reagent for peroxidase detection EPITOPE, INC. (US) 1991-05-21 US claimed
US-4999267-A ELECTROGRAPHY MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1991-03-12 US claimed
EP-0272212-A2 Process for continually producing azo or hydrazone dyes CIBA-GEIGY AG (CH) 1988-06-22 EP claimed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US claimed
EP-0049779-B1 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP claimed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US claimed
EP-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP claimed