SCHEMBL21402152

SCHEMBL21402152

Cc1ccc(C(=O)NC(CN(C)C)c2ccccc2)cc1-c1ccc2nc(N)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.54
KDR P35968 6/20 0.54
JAK3 P52333 6/20 0.54
MAPK14 Q16539 6/20 0.54
TEK Q02763 3/20 0.54
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 2/20 0.54
TACR3 P29371 1/20 0.47
RIPK1 Q13546 1/20 0.45
RIPK3 Q9Y572 1/20 0.45
BRAF P15056 1/20 0.45
PAK4 O96013 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 2/20 0.44
DDR2 Q16832 2/20 0.43
ABL1 P00519 1/20 0.42

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
SCHEMBL5502111 1.00 LCK (0.54) LCKKDRJAK3MAPK14TEK
SCHEMBL14568148 1.00 LCK (0.54) LCKKDRJAK3MAPK14TEK
SCHEMBL5501169 0.86 LCK (0.59) LCKKDRJAK3MAPK14TEK
SCHEMBL5501448 0.86 LCK (0.59) LCKKDRJAK3MAPK14TEK
SCHEMBL21402130 0.86 LCK (0.59) LCKKDRJAK3MAPK14TEK
SCHEMBL21402117 0.84 ROCK2 (0.52) LCKKDRJAK3MAPK14TEK
SCHEMBL5497529 0.84 ROCK2 (0.52) LCKKDRJAK3MAPK14TEK
SCHEMBL14568149 0.84 ROCK2 (0.52) LCKKDRJAK3MAPK14TEK
SCHEMBL5497196 0.81 LCK (0.62) LCKKDRJAK3MAPK14TEK
SCHEMBL14715558 0.80 TACR3 (0.52) ROCK2ROCK1TACR3PAK4CDK2

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-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed