SCHEMBL30101960

SCHEMBL30101960

O=c1[nH]c(CC(O)CO)nc2c(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
NPY5R Q15761 1/20 0.37
DGAT1 O75907 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TOP1 P11387 2/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
S1PR1 P21453 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL30101887 0.86 PIM1 (0.39) PIM1NPY5RDGAT1KCNH2SMN1; SMN2
SCHEMBL30101920 0.84 PIM1 (0.38) PIM1NPY5RDGAT1KCNH2SMN1; SMN2
SCHEMBL30101909 0.84 AHR (0.39) PIM1NPY5RDGAT1KCNH2SMN1; SMN2
SCHEMBL30101858 0.83 AHR (0.38) PIM1NPY5RDGAT1KCNH2SMN1; SMN2
SCHEMBL31472804 0.83 PIM1 (0.37) PIM1NPY5RDGAT1KCNH2SMN1; SMN2
SCHEMBL30101980 0.83 PIK3CB (0.40) PIM1L3MBTL1MAPTDYRK1AALDH1A1
SCHEMBL30102003 0.82 TNKS (0.39) PIM1TNKSPARP1TNKS2DYRK1A
SCHEMBL30101994 0.81 PTGS2 (0.40) PIM1NPY5RDGAT1KCNH2SMN1; SMN2
SCHEMBL31472805 0.80 PIM1 (0.39) PIM1NPY5RDGAT1KCNH2SMN1; SMN2
SCHEMBL30101972 0.78 TNKS (0.50) PIM1NPY5RDGAT1KCNH2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN claimed
CN-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 CN disclosed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN disclosed