SCHEMBL6669726

SCHEMBL6669726

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2cnc3c(c2)NC(=O)C(Cc2ccccc2)O3)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
GSK3A P49840 11/20 0.42
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
LYN P07948 1/20 0.41
BRAF P15056 1/20 0.41
EPHA2 P29317 1/20 0.41
EPHA3 P29320 1/20 0.41
AKT1 P31749 1/20 0.41
MAPK9 P45984 1/20 0.41
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
HSP90AA1 P07900 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6669467 0.94 MAPK14 (0.53) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL6883066 0.91 MAPK14 (0.54) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL6668838 0.89 MAPK14 (0.53) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL6669800 0.88 MAPK14 (0.56) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL6668211 0.87 ABL1 (0.58) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL6668162 0.81 MAPK14 (0.59) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL6637015 0.78 MAPK14 (0.59) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL6690548 0.77 MAPK14 (0.55) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL2209864 0.77 MAPK14 (0.57) MAPK14GSK3AABL1EGFRRAF1
SCHEMBL6662323 0.77 MAPK14 (0.57) MAPK14GSK3AABL1EGFRRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US claimed
EP-1438048-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-21 EP claimed
WO-2003032989-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-24 WO claimed
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed