SCHEMBL12517070

SCHEMBL12517070

C=C(/C=C(\C)NCc1cnc2[nH]ccc2c1Cl)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.42
▸ BRAF P15056 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ TNNI3K Q59H18 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ KIT P10721 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ GOT1 P17174 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ AHR P35869 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 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
SCHEMBL14689713 0.74 DDR2 (0.60) MAPK14KITKDM4EMAPTHTT
SCHEMBL17208650 0.74 MAPT (0.56) RXFP1KDM4EMAPTHTT
SCHEMBL17208652 0.71 PIKFYVE (0.56) BRAFKDRKIT
SCHEMBL16581617 0.68 CSK (0.63) BRAFKDRMAPK14KIT
SCHEMBL16581618 0.68 CSK (0.63) BRAFKDRMAPK14KIT
SCHEMBL22457384 0.68 MAPK14 (0.61) BRAFKDRMAPK14KITKDM4E
SCHEMBL17208612 0.68 MAPK14 (0.53) BRAFKDRMAPK14KIT
SCHEMBL4790006 0.67 RAF1 (0.51) BRAFKDRMAPK14KITRXFP1
SCHEMBL17208706 0.67 DDR1 (0.55) BRAFMAPK14RXFP1KDM4EMAPT
SCHEMBL14689711 0.66 KDR (0.50) BRAFKDRMAPK14KITMAPT

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-2011090738-A2 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-07-28 — — WO disclosed
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