SCHEMBL17612902

SCHEMBL17612902

CNCc1cc(C(F)(F)F)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cn[nH]c4C)nn3)c2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.46
BCR P11274 12/20 0.46
GPR142 Q7Z601 1/20 0.44
BRAF P15056 6/20 0.43
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL17612966 0.93 ABL1 (0.47) ABL1BCRGPR142BRAF
SCHEMBL17612988 0.91 BRAF (0.46) ABL1BCRBRAF
SCHEMBL17612978 0.89 ABL1 (0.57) ABL1BCRBRAF
SCHEMBL12464995 0.87 GPR142 (0.46) ABL1BCRGPR142BRAFABCG2
SCHEMBL12465330 0.84 BRAF (0.52) BRAFABCG2
SCHEMBL12465087 0.81 BRAF (0.41) ABL1BCRGPR142BRAF
SCHEMBL12465240 0.81 GPR142 (0.45) ABL1BCRGPR142BRAF
SCHEMBL12465245 0.81 GPR142 (0.45) ABL1BCRGPR142BRAF
SCHEMBL12464937 0.81 ABCG2 (0.40) ABL1BCRGPR142BRAFABCG2
SCHEMBL12465241 0.80 BRAF (0.47) ABL1BCRGPR142BRAFABCG2

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