SCHEMBL3630939

SCHEMBL3630939

CC(C)(C)c1cc(N(C(N)=O)c2cccc(Oc3ccncc3)c2)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.38
MAPK13 O15264 3/20 0.38
MAPK14 Q16539 4/20 0.38
CHEK2 O96017 1/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
ALOX5 P09917 2/20 0.34
MAP3K7 O43318 1/20 0.34
F2 P00734 2/20 0.33

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
SCHEMBL3629208 0.89 RAF1 (0.43) RAF1MAPK13MAPK14
SCHEMBL7813599 0.78 MAPK13 (0.48) RAF1MAPK13MAPK14
SCHEMBL6049566 0.76 MAPK14 (0.43) RAF1MAPK14
SCHEMBL6049496 0.76 MAPK14 (0.43) MAPK13MAPK14
SCHEMBL6049499 0.71 PTK2 (0.34)
SCHEMBL667815 0.69 RAF1 (0.60) RAF1MAPK13MAPK14
SCHEMBL9894387 0.69 MAPK14 (0.38) RAF1MAPK14
SCHEMBL27564998 0.69 CCNA2 (0.42) HSD17B1HSD17B2
SCHEMBL7810441 0.67 MAPK13 (0.54) RAF1MAPK13MAPK14
SCHEMBL6049567 0.66 RAF1 (0.38) RAF1MAPK13MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4403482-B2 2010-01-27 JP claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP claimed
JP-2001526223-A 2001-12-18 JP claimed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP claimed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed