SCHEMBL17612966

SCHEMBL17612966

CCNCc1cc(C(F)(F)F)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cn[nH]c4C)nn3)c2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.47
BCR P11274 12/20 0.47
BRAF P15056 7/20 0.44
GPR142 Q7Z601 1/20 0.43

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
SCHEMBL17612902 0.93 ABL1 (0.46) ABL1BCRBRAFGPR142
SCHEMBL17612988 0.90 BRAF (0.46) ABL1BCRBRAF
SCHEMBL12465240 0.88 GPR142 (0.45) ABL1BCRBRAFGPR142
SCHEMBL17612978 0.86 ABL1 (0.57) ABL1BCRBRAF
SCHEMBL12464935 0.85 BRAF (0.52) BRAF
SCHEMBL12464996 0.81 BRAF (0.48) ABL1BCRBRAFGPR142
SCHEMBL12464995 0.81 GPR142 (0.46) ABL1BCRBRAFGPR142
SCHEMBL12465309 0.80 BRAF (0.50) BRAF
SCHEMBL12465245 0.80 GPR142 (0.45) ABL1BCRBRAFGPR142
SCHEMBL12465088 0.79 BRAF (0.57) BRAF

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-2173734-B1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed