SCHEMBL6049567

SCHEMBL6049567

CC(C)(C)c1cc(N(C(N)=O)c2ccc(Oc3ccncc3)cc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.38
MAPK13 O15264 3/20 0.37
RIPK2 O43353 1/20 0.37
KDR P35968 2/20 0.34
MMP1 P03956 2/20 0.33
MMP13 P45452 1/20 0.33
MAPK14 Q16539 3/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BRAF P15056 1/20 0.32
TNNI3K Q59H18 1/20 0.32
GALR3 O60755 1/20 0.32

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
SCHEMBL6049549 0.88 PARP10 (0.39) RAF1MAPK14KDM4E
SCHEMBL6049651 0.85 PARP10 (0.39)
SCHEMBL3630059 0.84 CYP17A1 (0.39) RAF1MAPK14
SCHEMBL3623262 0.78 RAF1 (0.39) RAF1MAPK13RIPK2KDRMMP13
SCHEMBL12201799 0.75 RAF1 (0.44) RAF1MAPK13RIPK2KDRMAPK14
SCHEMBL3629208 0.74 RAF1 (0.43) RAF1MAPK13RIPK2MMP13MAPK14
SCHEMBL7810441 0.73 MAPK13 (0.54) RAF1MAPK13MAPK14
SCHEMBL13388168 0.72 RAF1 (0.43) RAF1MAPK13RIPK2ICAM1SELE
SCHEMBL667633 0.71 RAF1 (0.62) RAF1MAPK13RIPK2KDRMAPK14
SCHEMBL3630527 0.69 RAF1 (0.43) RAF1MAPK13RIPK2MMP1MMP13

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
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