SCHEMBL17208612

SCHEMBL17208612

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OCc1cnc2[nH]ccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.53
▸ MAP3K7 O43318 1/20 0.53
▸ CSK P41240 1/20 0.53
▸ MAP4K2 Q12851 1/20 0.53
▸ PIKFYVE Q9Y2I7 1/20 0.51
▸ BRAF P15056 8/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ LCK P06239 4/20 0.49
▸ BTK Q06187 4/20 0.49
▸ CSF1R P07333 4/20 0.49
▸ KIT P10721 2/20 0.49
▸ KDR P35968 1/20 0.49
▸ KCNQ3 O43525 2/20 0.48
▸ KCNQ2 O43526 2/20 0.48
▸ KCNE1 P15382 2/20 0.48
▸ KCNQ1 P51787 2/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ KCNQ5 Q9NR82 1/20 0.48
▸ ESR1 P03372 1/20 0.47

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
SCHEMBL17243859 0.89 MAPT (0.51) MAPK14MAP3K7CSKMAP4K2BRAF
SCHEMBL17208652 0.85 PIKFYVE (0.56) PIKFYVEBRAFCYP2C9LCKBTK
SCHEMBL4790008 0.81 BRAF (0.62) MAPK14PIKFYVEBRAFCYP2C9LCK
SCHEMBL14689713 0.81 DDR2 (0.60) MAPK14PIKFYVELCKCSF1RKIT
SCHEMBL16581617 0.78 CSK (0.63) MAPK14MAP3K7CSKMAP4K2PIKFYVE
SCHEMBL16581618 0.78 CSK (0.63) MAPK14MAP3K7CSKMAP4K2PIKFYVE
SCHEMBL17208739 0.77 LCK (0.58) MAPK14BRAFCYP2C9LCKBTK
SCHEMBL22457384 0.76 MAPK14 (0.61) MAPK14BRAFLCKCSF1RKIT
SCHEMBL17537416 0.76 PIKFYVE (0.51) MAPK14MAP3K7MAP4K2PIKFYVEBRAF
SCHEMBL14689711 0.75 KDR (0.50) MAPK14CSKPIKFYVEBRAFLCK

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-2937345-A2 Type II raf kinase inhibitors Dana-Farber Cancer Institute, Inc. (US) 2015-10-28 — — EP disclosed
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