SCHEMBL12962452

SCHEMBL12962452

C/N=C(\NC)c1ccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C)cc4)c3C)cn3ccnc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.50
SYK P43405 8/20 0.49
AURKA O14965 2/20 0.48
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1068181 0.93 BTK (0.58) BTKSYKAURKA
SCHEMBL12637988 0.93 BTK (0.58) BTKSYKAURKA
SCHEMBL1068183 0.93 BTK (0.58) BTKSYKAURKA
SCHEMBL16712265 0.85 BTK (0.41) BTKSYKAURKA
SCHEMBL16712263 0.85 BTK (0.41) BTKSYKAURKA
SCHEMBL1066572 0.82 BTK (0.61) BTKSYKAURKA
SCHEMBL1069949 0.82 BTK (0.55) BTKSYKAURKA
SCHEMBL1069951 0.82 BTK (0.55) BTKSYKAURKA
SCHEMBL12638024 0.82 BTK (0.55) BTKSYKAURKA
SCHEMBL12962408 0.82 BTK (0.60) BTKSYKAURKA

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-2270200-A2 Kinase inhibitors, and methods of using and identifying kinase inhibitors CGI Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed