SCHEMBL3623262

SCHEMBL3623262

CC(C)(C)c1cnc(N(C(N)=O)c2ccc(Oc3ccncc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.39
MLYCD O95822 5/20 0.36
RIPK2 O43353 1/20 0.34
MAPK13 O15264 2/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
TMPRSS15 P98073 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
KDR P35968 1/20 0.31
GALR3 O60755 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL3630369 0.80 HSD17B1 (0.42) RAF1MLYCDICAM1SELE
SCHEMBL6049567 0.78 RAF1 (0.38) RAF1RIPK2MAPK13ICAM1SELE
SCHEMBL28748134 0.71 ACACB (0.47) MLYCDACACBACACA
SCHEMBL13388168 0.71 RAF1 (0.43) RAF1RIPK2MAPK13ICAM1SELE
SCHEMBL3629208 0.70 RAF1 (0.43) RAF1RIPK2MAPK13GALR3MMP13
SCHEMBL27551045 0.70 CDK8 (0.34) MLYCDKDR
SCHEMBL7810441 0.70 MAPK13 (0.54) RAF1MAPK13
SCHEMBL27551074 0.69 CDK2 (0.38) MLYCDKDR
SCHEMBL668629 0.69 RAF1 (0.67) RAF1RIPK2MAPK13KDR
SCHEMBL28413394 0.68 CTSA (0.40) MLYCD

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