SCHEMBL27715420

SCHEMBL27715420

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NCc1ccc2nccnc2c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.76
▸ DDR2 Q16832 5/20 0.62
▸ DDR1 Q08345 4/20 0.61
▸ CSF1R P07333 2/20 0.59
▸ KIT P10721 1/20 0.58
▸ KDR P35968 2/20 0.54
▸ RAF1 P04049 1/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ PDGFRA P16234 1/20 0.54
▸ LCK P06239 1/20 0.53
▸ BTK Q06187 1/20 0.53
▸ TEK Q02763 1/20 0.52

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
SCHEMBL5000861 0.85 BRAF (0.76) BRAFDDR2DDR1CSF1RKIT
SCHEMBL5897754 0.79 BRAF (1.00) BRAFCSF1RKITKDRRAF1
SCHEMBL17208690 0.78 CSF1R (0.66) BRAFDDR2DDR1CSF1RKIT
SCHEMBL5004469 0.78 BRAF (0.83) BRAFCSF1RKITKDRRAF1
SCHEMBL6487130 0.78 BRAF (0.72) BRAFDDR2CSF1RKITKDR
SCHEMBL7840187 0.77 BRAF (0.91) BRAFCSF1RKITKDRRAF1
SCHEMBL19073209 0.77 BRAF (0.73) BRAFCSF1RKITLCK
SCHEMBL6487127 0.77 BRAF (0.70) BRAFDDR2CSF1RKITKDR
SCHEMBL22065317 0.76 BRAF (0.72) BRAFCSF1RKITLCK
SCHEMBL15127735 0.76 BRAF (0.72) BRAFCSF1RKITKDRRAF1

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
CN-101080396-A Quinoxalines as B Raf inhibitors ASTRAZENECA AB (SE) 2007-11-28 — — CN disclosed
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