SCHEMBL7568946

SCHEMBL7568946

COc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(Oc3ccnc(NCCc4ccccc4)c3)c3ccccc23)c1OC

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 16/20 0.67
MAPK14 Q16539 14/20 0.67
SRC P12931 12/20 0.67
SYK P43405 10/20 0.67
LCK P06239 1/20 0.61

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
SCHEMBL7501825 0.88 MAPK14 (0.56) GSK3AMAPK14SRCSYK
SCHEMBL5618979 0.87 MAPK14 (0.69) GSK3AMAPK14SRCSYK
SCHEMBL5250877 0.84 SRC (0.65) GSK3AMAPK14SRCSYKLCK
SCHEMBL5248201 0.84 MAPK14 (0.67) GSK3AMAPK14SRCSYK
SCHEMBL5248359 0.83 MAPK14 (0.67) GSK3AMAPK14SRCSYK
SCHEMBL16829415 0.80 SRC (1.00) GSK3AMAPK14SRCSYK
SCHEMBL16106245 0.80 GSK3A (0.80) GSK3AMAPK14SRCSYKLCK
SCHEMBL16106646 0.79 MAPK14 (0.80) GSK3AMAPK14SRCSYK
SCHEMBL16106506 0.79 MAPK14 (0.80) GSK3AMAPK14SRCSYK
SCHEMBL16106543 0.79 MAPK14 (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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