SCHEMBL6645836

SCHEMBL6645836

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2cc(C)nc(NCCc3ccccc3)n2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 18/20 0.53
MAPK14 Q16539 8/20 0.53
SRC P12931 7/20 0.47
SYK P43405 7/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL6298745 0.93 GSK3A (0.60) GSK3AMAPK14SRCSYKKDM4E
SCHEMBL6300955 0.89 GSK3A (0.52) GSK3AMAPK14SRCSYK
SCHEMBL6643812 0.88 GSK3A (0.57) GSK3AMAPK14SRCSYK
SCHEMBL6305636 0.87 MAPK14 (0.59) GSK3AMAPK14SRCSYK
SCHEMBL6298778 0.86 GSK3A (0.52) GSK3AMAPK14SRCSYK
SCHEMBL6299751 0.85 GSK3A (0.64) GSK3AMAPK14SRCSYK
SCHEMBL6305403 0.85 GSK3A (0.58) GSK3AMAPK14SRCSYK
SCHEMBL6306257 0.84 MAPK14 (0.62) GSK3AMAPK14SRCSYKKDM4E
SCHEMBL6304876 0.83 MAPK14 (0.53) GSK3AMAPK14SRCSYK
SCHEMBL5623435 0.83 GSK3A (0.51) GSK3AMAPK14SRCSYKHPGD

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
EP-1392661-A1 DIARYLUREA DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-03 EP disclosed
WO-2002092576-A1 DIARYLUREA DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-11-21 WO disclosed