SCHEMBL17612973

SCHEMBL17612973

CNCCc1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cn[nH]c4C)nn3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.56
BCR P11274 16/20 0.56
GPR142 Q7Z601 1/20 0.51
BRAF P15056 1/20 0.45
DDR2 Q16832 2/20 0.44

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
SCHEMBL17612908 0.88 ABL1 (0.54) ABL1BCRGPR142BRAFDDR2
SCHEMBL12398682 0.87 GPR142 (0.52) ABL1BCRGPR142BRAF
SCHEMBL17612987 0.85 DDR2 (0.52) ABL1BCRGPR142BRAFDDR2
SCHEMBL17612870 0.83 ABL1 (0.52) ABL1BCRGPR142DDR2
SCHEMBL17612976 0.83 ABL1 (0.60) ABL1BCRGPR142BRAF
SCHEMBL17612918 0.82 ABL1 (0.59) ABL1BCRGPR142BRAF
SCHEMBL17612982 0.81 ABL1 (0.56) ABL1BCRGPR142BRAF
SCHEMBL17612945 0.81 ABL1 (0.58) ABL1BCRGPR142BRAF
SCHEMBL17612949 0.80 ABL1 (0.55) ABL1BCRGPR142BRAF
SCHEMBL17612941 0.80 BRAF (0.59) ABL1BCRGPR142BRAF

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