SCHEMBL17612992

SCHEMBL17612992

Cc1ccc(C(=O)Nc2cc(N3CC[C@@H](N)C3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.50
BCR P11274 5/20 0.50
BRAF P15056 14/20 0.49
GPR142 Q7Z601 1/20 0.49

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
SCHEMBL12398168 1.00 ABL1 (0.50) ABL1BCRBRAFGPR142
SCHEMBL12398073 0.93 ABL1 (0.51) ABL1BCRBRAFGPR142
SCHEMBL12398018 0.91 BRAF (0.60) ABL1BCRBRAFGPR142
SCHEMBL12398091 0.91 BRAF (0.60) ABL1BCRBRAFGPR142
SCHEMBL12398094 0.91 BRAF (0.60) ABL1BCRBRAFGPR142
SCHEMBL12398079 0.91 ABL1 (0.52) ABL1BCRBRAFGPR142
SCHEMBL17612911 0.90 ABL1 (0.51) ABL1BCRBRAFGPR142
SCHEMBL12398053 0.90 BRAF (0.59) ABL1BCRBRAFGPR142
SCHEMBL12398051 0.90 BRAF (0.51) ABL1BCRBRAFGPR142
SCHEMBL12397996 0.90 BRAF (0.56) 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