SCHEMBL28830742

SCHEMBL28830742

Cc1nn(C)cc1-c1cnc(N)c(-c2cccc(C(N)=O)c2F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 15/20 0.53
▸ ALK Q9UM73 2/20 0.47
▸ PIK3CG P48736 2/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MTOR P42345 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
SCHEMBL16681084 0.76 MAPK1 (0.70) MAPK1
SCHEMBL22553171 0.75 PIK3CG (0.54) MAPK1ALKPIK3CGPIK3CAPIK3CD
SCHEMBL30436722 0.72 ALK (0.41) MAPK1ALK
SCHEMBL20145777 0.71 MAPK1 (0.72) MAPK1
SCHEMBL20145784 0.70 MAPK1 (0.73) MAPK1
SCHEMBL16679270 0.70 MAPK1 (1.00) MAPK1
SCHEMBL16679272 0.70 MAPK1 (1.00) MAPK1
SCHEMBL16680783 0.69 MAPK1 (1.00) MAPK1
SCHEMBL16680781 0.69 MAPK1 (1.00) MAPK1
SCHEMBL16679301 0.69 MAPK1 (1.00) MAPK1

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
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 — — CN disclosed
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