SCHEMBL16581606

SCHEMBL16581606

COc1c(/C=C/c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3F)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSK P41240 5/20 0.60
▸ MAP3K20 Q9NYL2 5/20 0.60
▸ MAPK14 Q16539 6/20 0.58
▸ SRC P12931 3/20 0.58
▸ MAP3K7 O43318 3/20 0.58
▸ MAP4K2 Q12851 3/20 0.58
▸ ABL1 P00519 3/20 0.58
▸ EPHA2 P29317 2/20 0.58
▸ MAP4K4 O95819 1/20 0.58
▸ RAF1 P04049 1/20 0.58
▸ LYN P07948 1/20 0.58
▸ EPHB2 P29323 1/20 0.58
▸ ABL2 P42684 1/20 0.58
▸ EPHB4 P54760 1/20 0.58
▸ PIKFYVE Q9Y2I7 1/20 0.45
▸ DDR1 Q08345 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL16581650 1.00 CSK (0.60) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL16581619 0.88 SRC (0.49) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL16581602 0.88 SRC (0.49) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL16581559 0.79 MAPK14 (0.76) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL16581560 0.79 MAPK14 (0.76) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL2286190 0.78 CSK (0.60) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL2286181 0.78 CSK (0.60) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL26882912 0.78 MAPK14 (0.77) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL12518518 0.75 CSK (0.57) CSKMAP3K20MAPK14SRCMAP3K7
SCHEMBL16581617 0.74 CSK (0.63) CSKMAP3K20MAPK14SRCMAP3K7

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-2519517-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2015-03-25 — — EP claimed
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