SCHEMBL5250671

SCHEMBL5250671

COc1c(NC(=O)Nc2c(Oc3ccncc3)ccc3ccccc23)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 16/20 0.55
MAPK14 Q16539 19/20 0.54
SRC P12931 16/20 0.54
SYK P43405 13/20 0.54

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
SCHEMBL7503530 0.90 MAPK14 (0.49) GSK3AMAPK14SRCSYK
SCHEMBL5247442 0.89 MAPK14 (0.51) GSK3AMAPK14SRCSYK
SCHEMBL14459482 0.88 GSK3A (0.68) GSK3AMAPK14SRCSYK
SCHEMBL5249388 0.87 MAPK14 (0.49) GSK3AMAPK14SRCSYK
SCHEMBL5618647 0.82 GSK3A (0.51) GSK3AMAPK14SRCSYK
SCHEMBL6840076 0.79 GSK3A (0.67) GSK3AMAPK14SRCSYK
SCHEMBL14459485 0.76 MAPK14 (0.60) GSK3AMAPK14SRCSYK
SCHEMBL14459488 0.75 MAPK14 (0.60) GSK3AMAPK14SRCSYK
SCHEMBL6298751 0.72 GSK3A (0.67) GSK3AMAPK14SRCSYK
SCHEMBL17652817 0.71 GSK3A (1.00) GSK3AMAPK14SRCSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232150-B1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2007-10-10 EP claimed
US-6492393-B1 SUCH AS 1-(5-TERT-BUTYL-2-METHOXYPHENYL)-3-(4-(2-METHOXY-PYRIDIN-4YL-OXY)-NAPHTHALEN-1-YL)-UREA; CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US claimed
EP-1232150-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-08-21 EP claimed
WO-2001036403-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-05-25 WO claimed
EP-1232150-B1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2007-10-10 EP disclosed
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-6492393-B1 SUCH AS 1-(5-TERT-BUTYL-2-METHOXYPHENYL)-3-(4-(2-METHOXY-PYRIDIN-4YL-OXY)-NAPHTHALEN-1-YL)-UREA; CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed
EP-1232150-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-08-21 EP disclosed
WO-2001036403-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-05-25 WO disclosed