SCHEMBL30140211

SCHEMBL30140211

CN(C)/C=N/c1ccc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.49
USP30 Q70CQ3 1/20 0.45
PIK3CD O00329 7/20 0.41
PIK3CA P42336 5/20 0.41
ALK Q9UM73 1/20 0.41
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
TBK1 Q9UHD2 2/20 0.39

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
SCHEMBL30140249 1.00 GPR119 (0.49) GPR119USP30PIK3CDPIK3CAALK
SCHEMBL30140200 0.84 GPR119 (0.42) GPR119USP30PIK3CDPIK3CAPIK3CB
SCHEMBL29025864 0.81 RET (0.46) GPR119
SCHEMBL30127474 0.81 PDE4B (0.44) GPR119USP30PIK3CD
SCHEMBL30126023 0.81 PDE4B (0.44) GPR119USP30PIK3CD
SCHEMBL30126772 0.81 PDE4B (0.44) GPR119USP30PIK3CD
SCHEMBL30140095 0.81 GPR119 (0.56) GPR119USP30PIK3CDPIK3CAALK
SCHEMBL21887529 0.79 GPR119 (0.56) GPR119USP30ALKTBK1
SCHEMBL30140067 0.79 PIK3CD (0.43) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27108934 0.79 GPR119 (0.53) GPR119USP30PIK3CDPIK3CAALK

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
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed