SCHEMBL17612976

SCHEMBL17612976

Cc1ccc(C(=O)Nc2cc(N3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cn[nH]c2C)nn1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.60
BCR P11274 7/20 0.60
BRAF P15056 12/20 0.56
GPR142 Q7Z601 1/20 0.51

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
SCHEMBL17612918 0.94 ABL1 (0.59) ABL1BCRBRAFGPR142
SCHEMBL17612945 0.93 ABL1 (0.58) ABL1BCRBRAFGPR142
SCHEMBL17612982 0.92 ABL1 (0.56) ABL1BCRBRAFGPR142
SCHEMBL17612941 0.92 BRAF (0.59) ABL1BCRBRAFGPR142
SCHEMBL17612949 0.90 ABL1 (0.55) ABL1BCRBRAFGPR142
SCHEMBL12397996 0.87 BRAF (0.56) ABL1BCRBRAFGPR142
SCHEMBL12397967 0.86 BRAF (0.56) ABL1BCRBRAFGPR142
SCHEMBL12397928 0.85 BRAF (0.67) ABL1BCRBRAFGPR142
SCHEMBL12397999 0.84 BRAF (0.68) ABL1BCRBRAFGPR142
SCHEMBL17612908 0.84 ABL1 (0.54) ABL1BCRBRAFGPR142

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