SCHEMBL17612947

SCHEMBL17612947

C=C(C)c1cc(CN2CCCC2)cc(C(=O)Nc2ccc(C)c(-n3cc(-c4cncnc4)nn3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.52
BCR P11274 14/20 0.52
BRAF P15056 5/20 0.52
TEK Q02763 1/20 0.48

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
SCHEMBL12465173 0.90 BRAF (0.52) ABL1BCRBRAFTEK
SCHEMBL12465136 0.89 TEK (0.62) ABL1BCRBRAFTEK
SCHEMBL12465331 0.88 ABL1 (0.55) ABL1BCRBRAFTEK
SCHEMBL12465134 0.87 BRAF (0.49) ABL1BCRBRAF
SCHEMBL12465324 0.81 ABL1 (0.46) ABL1BCRBRAF
SCHEMBL12397175 0.80 BRAF (0.57) ABL1BCRBRAF
SCHEMBL12465338 0.79 TEK (0.58) ABL1BCRBRAFTEK
SCHEMBL12465129 0.78 ABL1 (0.53) ABL1BCRBRAFTEK
SCHEMBL12465012 0.78 BRAF (0.49) ABL1BCRBRAF
SCHEMBL13960367 0.77 BRAF (0.59) 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