SCHEMBL17612945

SCHEMBL17612945

Cc1ccc(C(=O)Nc2cc(N3CCN(c4ccncc4)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cn[nH]c2C)nn1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.58
BCR P11274 5/20 0.58
BRAF P15056 14/20 0.52
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
SCHEMBL17612976 0.93 ABL1 (0.60) ABL1BCRBRAFGPR142
SCHEMBL17612918 0.91 ABL1 (0.59) ABL1BCRBRAFGPR142
SCHEMBL17612982 0.90 ABL1 (0.56) ABL1BCRBRAFGPR142
SCHEMBL17612949 0.89 ABL1 (0.55) ABL1BCRBRAFGPR142
SCHEMBL17612941 0.89 BRAF (0.59) ABL1BCRBRAFGPR142
SCHEMBL12398107 0.87 BRAF (0.54) ABL1BCRBRAFGPR142
SCHEMBL12398105 0.82 BRAF (0.52) ABL1BCRBRAFGPR142
SCHEMBL12398056 0.81 BRAF (0.68) ABL1BCRBRAF
SCHEMBL12397928 0.81 BRAF (0.67) ABL1BCRBRAFGPR142
SCHEMBL12398154 0.81 GPR142 (0.53) 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