SCHEMBL31472807

SCHEMBL31472807

CC(CN)c1nc2c(-c3cccnc3)nc(-c3ccc(Cl)cc3)cc2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
PSD A5PKW4 3/20 0.39
ROCK2 O75116 4/20 0.39
IDH1 O75874 1/20 0.38
CYP19A1 P11511 2/20 0.38
PIM1 P11309 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PTGES O14684 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL31472805 0.88 PIM1 (0.39) NPY5RROCK2PIM1
SCHEMBL30101909 0.80 AHR (0.39) NPY5RPIM1
SCHEMBL30101864 0.78 AHR (0.52) NPY5R
SCHEMBL23950758 0.77 PSD (0.38) NPY5RPSDCYP19A1PIM1CYP3A4
SCHEMBL23950570 0.77 PSD (0.44) NPY5RPSDCYP19A1PIM1PIM2
SCHEMBL30101836 0.77 TRPV3 (0.39) PTGES
SCHEMBL30101858 0.75 AHR (0.38) NPY5RPIM1
SCHEMBL30101887 0.74 PIM1 (0.39) NPY5RPIM1
SCHEMBL31472804 0.73 PIM1 (0.37) NPY5RPIM1
SCHEMBL31472808 0.73 HTR2B (0.42) PSDPIM1CYP3A4CYP2C9

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-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 CN disclosed