SCHEMBL8605486

SCHEMBL8605486

Clc1ccc(-c2[nH][c]nc2-c2ccncc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK14 Q16539 3/20 0.46
RAF1 P04049 3/20 0.46
NPY5R Q15761 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DCLK1 O15075 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
PRKACA P17612 1/20 0.40
FLT3 P36888 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40

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
SCHEMBL8601356 0.76 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL8606320 0.75 RAF1 (0.49) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2029325 0.68 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5848398 0.68 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469559 0.67 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2649589 0.66 MAPK13 (0.90) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL699188 0.65 KDM4E (0.45) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2648428 0.65 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5452477 0.65 RAF1 (0.50) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5216102 0.64 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14RAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO claimed
US-5717100-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO., INC. (US) 1998-02-10 US disclosed