SCHEMBL12201799

SCHEMBL12201799

CN(C(=O)Nc1csc(C(C)(C)C)c1)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RIPK2 O43353 1/20 0.43
MAPK13 O15264 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IMPDH2 P12268 2/20 0.39
MAPK14 Q16539 2/20 0.39
NPY5R Q15761 1/20 0.38
KDR P35968 3/20 0.37
BRAF P15056 1/20 0.37
TNNI3K Q59H18 1/20 0.37
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36

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
SCHEMBL667633 0.84 RAF1 (0.62) RAF1RIPK2MAPK13MAPK14KDR
SCHEMBL3182360 0.76 GALR3 (0.55) RAF1POLBMAPTMAPK13MAPK14
SCHEMBL6049567 0.75 RAF1 (0.38) RAF1RIPK2MAPK13KDM4EMAPK14
SCHEMBL3182922 0.73 KDR (0.70) RAF1POLBMAPTMAPK13MAPK14
SCHEMBL3176365 0.73 RAB9A (0.55) RAF1POLBMAPTMAPK13NPY5R
SCHEMBL668554 0.72 RPS6KB1 (0.56) RAF1MAPTRIPK2MAPK13KDM4E
SCHEMBL667909 0.72 RAF1 (0.52) RAF1POLBMAPTRIPK2MAPK13
SCHEMBL667893 0.72 RAF1 (0.57) RAF1POLBMAPTKDM4EMAPK14
SCHEMBL668206 0.72 RAF1 (0.57) RAF1MAPK13MAPK14NPY5R
SCHEMBL3182747 0.71 NPY5R (0.49) RAF1POLBMAPTMAPK13NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed