SCHEMBL17612978

SCHEMBL17612978

COc1c(CN2CCOCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cn[nH]c3C)nn2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.57
BCR P11274 17/20 0.57
BRAF P15056 3/20 0.50

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
SCHEMBL17612902 0.89 ABL1 (0.46) ABL1BCRBRAF
SCHEMBL12397431 0.89 ABL1 (0.51) ABL1BCRBRAF
SCHEMBL17612966 0.86 ABL1 (0.47) ABL1BCRBRAF
SCHEMBL17612988 0.86 BRAF (0.46) ABL1BCRBRAF
SCHEMBL12397439 0.83 ABL1 (0.55) ABL1BCR
SCHEMBL12396954 0.83 BRAF (0.47) ABL1BCRBRAF
SCHEMBL12397437 0.82 ABL1 (0.49) ABL1BCRBRAF
SCHEMBL12397016 0.82 ABL1 (0.49) ABL1BCRBRAF
SCHEMBL12397024 0.82 ABL1 (0.48) ABL1BCRBRAF
SCHEMBL12396847 0.81 BRAF (0.53) 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