SCHEMBL6525798

SCHEMBL6525798

CSc1ccc(-c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1.Fc1ccc(-n2nc(-c3ccccc3)c(Br)c2-c2ccncc2)cc1.Fc1ccc(-n2nc(-c3ccccc3)cc2-c2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.48
MAPK12 P53778 8/20 0.48
MAPK11 Q15759 8/20 0.48
MAPK14 Q16539 8/20 0.48
GCGR P47871 4/20 0.44
USP8 P40818 1/20 0.43
SRC P12931 3/20 0.41
BRAF P15056 3/20 0.41
KDR P35968 3/20 0.41
PTGS2 P35354 3/20 0.40
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 2/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
RET P07949 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL4592500 0.88 PTGS2 (0.47) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL6261746 0.88 PTGS2 (0.47) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL4592621 0.84 PTGS2 (0.52) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL4593501 0.81 BRAF (0.55) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL4592993 0.79 MEN1 (0.57) MAPK13MAPK12MAPK11MAPK14USP8
SCHEMBL9206412 0.71 PTGS2 (0.49) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL14132548 0.71 USP8 (0.59) USP8CYP2C9MEN1KMT2AFABP3
SCHEMBL6774561 0.70 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL15070238 0.69 USP8 (0.57) USP8CYP2C9MEN1KMT2AFABP3
SCHEMBL9207835 0.69 PTGS2 (0.51) MAPK13MAPK12MAPK11MAPK14PTGS2

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
WO-2005030091-A2 STENTS AND INTRA-LUMINAL PROSTHESES CONTAINING MAP KINASE INHIBITORS SCIOS INC. (US) 2005-04-07 WO disclosed