SCHEMBL30874959

SCHEMBL30874959

NC(=O)C1CC(F)CN1C(=O)Cc1cnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.37
▸ CFD P00746 11/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PIN1 Q13526 1/20 0.32
▸ FAP Q12884 1/20 0.31

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
SCHEMBL29230807 0.89 CFD (0.33) CFDFAP
SCHEMBL24664591 0.89 CFD (0.33) CFDFAP
SCHEMBL29230804 0.89 CFD (0.33) CFDFAP
SCHEMBL30341409 0.78 DPP4 (0.41) —
SCHEMBL30874871 0.76 PIK3CA (0.34) CFDPIK3CA
SCHEMBL30874841 0.74 CFD (0.35) CFDPIK3CA
SCHEMBL24666276 0.74 CFD (0.38) CFD
SCHEMBL24666217 0.74 CFD (0.38) CFD
SCHEMBL24665428 0.74 CFD (0.38) CFD
SCHEMBL30874921 0.73 CNR2 (0.34) CNR2CFDPIK3CAPIK3CDPIK3CB

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-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
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