SCHEMBL23950775

SCHEMBL23950775

O=c1c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccnc3)c2ncn1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
BRD4 O60885 3/20 0.44
PIM1 P11309 7/20 0.42
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
KCNH2 Q12809 1/20 0.37
PLAT P00750 1/20 0.37
S1PR1 P21453 1/20 0.36
NPY5R Q15761 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
SCHEMBL25463193 0.91 ACVR1 (0.40) PIM1HTR2BHTR6CYP11B1CYP11B2
SCHEMBL23950995 0.90 HTR2B (0.40) MAPK14BRD4PIM1HTR2BHTR6
SCHEMBL25463934 0.90 HTR2B (0.40) MAPK14BRD4PIM1HTR2BHTR6
SCHEMBL23951140 0.87 CYP11B1 (0.39) PIM1HTR2BHTR6CYP11B1CYP11B2
SCHEMBL23925575 0.87 CYP11B1 (0.39) PIM1HTR2BHTR6CYP11B1CYP11B2
SCHEMBL23925713 0.87 CYP11B1 (0.39) PIM1HTR2BHTR6CYP11B1CYP11B2
SCHEMBL23925562 0.84 KCNH2 (0.51) PIM1HTR2BHTR6CYP11B1CYP11B2
SCHEMBL23950665 0.84 KCNH2 (0.51) PIM1HTR2BHTR6CYP11B1CYP11B2
SCHEMBL23925444 0.84 KCNH2 (0.51) PIM1HTR2BHTR6CYP11B1CYP11B2
SCHEMBL26286178 0.84 PIM1 (0.40) MAPK14BRD4PIM1HTR6CYP11B1

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 5 patents. 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 claimed
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
WO-2021210970-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2021-10-21 WO disclosed