SCHEMBL27702012

SCHEMBL27702012

Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.65
▸ RAF1 P04049 1/20 0.65
▸ YES1 P07947 1/20 0.65
▸ MAPK14 Q16539 11/20 0.63

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
SCHEMBL27682670 0.93 BRAF (0.69) BRAFRAF1YES1MAPK14
SCHEMBL27682678 0.91 MAPK14 (0.66) BRAFRAF1YES1MAPK14
SCHEMBL27682676 0.90 BRAF (0.65) BRAFRAF1YES1MAPK14
SCHEMBL4211962 0.86 MAPK14 (0.59) BRAFRAF1YES1MAPK14
SCHEMBL27682651 0.85 MAPK14 (0.62) BRAFRAF1YES1MAPK14
SCHEMBL27701780 0.85 BRAF (0.79) BRAFRAF1YES1MAPK14
SCHEMBL4208246 0.84 MAPK14 (0.57) BRAFRAF1YES1MAPK14
SCHEMBL27682671 0.84 MAPK14 (0.69) BRAFRAF1YES1MAPK14
SCHEMBL27682842 0.84 MAPK14 (0.65) BRAFRAF1YES1MAPK14
SCHEMBL4242038 0.84 BRAF (0.64) BRAFRAF1YES1MAPK14

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-101048388-A Quinazolinone derivatives and their use as B-Raf inhibitors ASTRAZENECA AB (SE) 2007-10-03 — — CN disclosed
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