SCHEMBL17612908

SCHEMBL17612908

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.54
BCR P11274 13/20 0.54
GPR142 Q7Z601 1/20 0.50
DDR2 Q16832 2/20 0.44
BRAF P15056 4/20 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
SCHEMBL17612973 0.88 ABL1 (0.56) ABL1BCRGPR142DDR2BRAF
SCHEMBL12465242 0.87 GPR142 (0.52) ABL1BCRGPR142BRAF
SCHEMBL17612987 0.85 DDR2 (0.52) ABL1BCRGPR142DDR2BRAF
SCHEMBL17612976 0.84 ABL1 (0.60) ABL1BCRGPR142BRAF
SCHEMBL17612870 0.83 ABL1 (0.52) ABL1BCRGPR142DDR2
SCHEMBL12465100 0.82 GPR142 (0.48) ABL1BCRGPR142BRAF
SCHEMBL12464992 0.82 BRAF (0.52) ABL1BCRGPR142BRAF
SCHEMBL12397507 0.81 GPR142 (0.47) ABL1BCRGPR142BRAF
SCHEMBL17612918 0.81 ABL1 (0.59) ABL1BCRGPR142BRAF
SCHEMBL17612965 0.80 ABL1 (0.46) ABL1BCRBRAF

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