SCHEMBL17612965

SCHEMBL17612965

COc1c(CNC(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cn[nH]c4C)nn3)c2)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.46
BCR P11274 14/20 0.46
BRAF P15056 6/20 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
SCHEMBL17612972 0.92 ABL1 (0.47) ABL1BCRBRAF
SCHEMBL12465089 0.88 BRAF (0.44) ABL1BCRBRAF
SCHEMBL12465093 0.82 ABL1 (0.49) ABL1BCR
SCHEMBL17612908 0.80 ABL1 (0.54) ABL1BCRBRAF
SCHEMBL12465367 0.79 ABL1 (0.46) ABL1BCRBRAF
SCHEMBL12465095 0.79 ABL1 (0.51) ABL1BCRBRAF
SCHEMBL12465368 0.78 ABL1 (0.43) ABL1BCRBRAF
SCHEMBL12465328 0.78 ABL1 (0.43) ABL1BCRBRAF
SCHEMBL12465284 0.77 ABL1 (0.48) ABL1BCR
SCHEMBL12465243 0.77 ABL1 (0.43) 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