SCHEMBL30913142

SCHEMBL30913142

CN(Cc1nc(N2C3CCC2CC3)cc2c1CNC2=O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
HTR2C P28335 7/20 0.34
SLC6A4 P31645 7/20 0.34
GPR119 Q8TDV5 2/20 0.33
HTR2A P28223 1/20 0.33
SOS1 Q07889 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
SMO Q99835 1/20 0.30

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
SCHEMBL21990627 0.84 MAP4K1 (0.35) HTR2CSLC6A4HTR2A
SCHEMBL30913157 0.84 MAP4K1 (0.35) HTR2CSLC6A4HTR2A
SCHEMBL22011646 0.84 MAP4K1 (0.35) HTR2CSLC6A4HTR2A
SCHEMBL30913139 0.84 AURKA (0.37) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL22012277 0.82 CACNA1G (0.37) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL22012577 0.82 CACNA1G (0.37) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL30500363 0.82 CACNA1G (0.37) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL30136111 0.82 CACNA1G (0.37) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL30913160 0.81 PIK3C3 (0.41) PIK3CA
SCHEMBL30913137 0.81 MAP4K1 (0.34) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4

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-118103369-A Pyridolactam derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-05-28 CN disclosed