SCHEMBL30101920

SCHEMBL30101920

CC(C)(O)Cc1nc2c(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)cc2c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
NPY5R Q15761 1/20 0.38
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE2A O00408 1/20 0.37
SCN9A Q15858 1/20 0.36
TNKS O95271 4/20 0.36
TNKS2 Q9H2K2 4/20 0.36
PARP2 Q9UGN5 3/20 0.36
PARP1 P09874 2/20 0.36
KIT P10721 2/20 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
SCHEMBL30101987 0.90 PIM1 (0.37) PIM1KCNH2PIM2PTGS1PTGS2
SCHEMBL30101960 0.84 PIM1 (0.37) PIM1NPY5RDGAT1KCNH2PIM2
SCHEMBL30101994 0.84 PTGS2 (0.40) PIM1NPY5RDGAT1KCNH2PIM2
SCHEMBL30101858 0.82 AHR (0.38) PIM1NPY5RDGAT1KCNH2CYP11B1
SCHEMBL30101909 0.82 AHR (0.39) PIM1NPY5RDGAT1KCNH2CYP11B1
SCHEMBL30101887 0.82 PIM1 (0.39) PIM1NPY5RDGAT1KCNH2CYP11B1
SCHEMBL31472805 0.81 PIM1 (0.39) PIM1NPY5RDGAT1KCNH2LMNA
SCHEMBL31472804 0.81 PIM1 (0.37) PIM1NPY5RDGAT1KCNH2CYP11B1
SCHEMBL30101972 0.79 TNKS (0.50) PIM1NPY5RDGAT1KCNH2CYP11B1
SCHEMBL30101867 0.77 PIM1 (0.37) PIM1NPY5RDGAT1KCNH2CYP11B1

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-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN disclosed