SCHEMBL30101897

SCHEMBL30101897

O=c1[nH]c([C@@H]2CC[C@H](O)C2)nc2c(-c3cccnc3)nc(-c3ccc(C(F)(F)F)nc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
KCNH2 Q12809 2/20 0.34
PIM1 P11309 4/20 0.34
PIK3CA P42336 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL30101838 0.90 PIM1 (0.36) SYKKCNH2PIM1
SCHEMBL30101893 0.90 PIM1 (0.36) SYKKCNH2PIM1
SCHEMBL30101867 0.85 PIM1 (0.37) KCNH2PIM1
SCHEMBL30101911 0.81 JAK2 (0.40) SYKPIM1PIK3CA
SCHEMBL30101942 0.80 CDK5 (0.41) PIM1HSP90AA1
SCHEMBL23950604 0.77 CLK1 (0.36) SYKKCNH2PIM1PIK3CAHSP90AA1
SCHEMBL23925639 0.77 CLK1 (0.36) SYKKCNH2PIM1PIK3CAHSP90AA1
SCHEMBL31472842 0.77 MAPK13 (0.42) KCNH2PIM1
SCHEMBL30101836 0.77 TRPV3 (0.39) SYKKCNH2PTGS1PTGS2
SCHEMBL30101987 0.77 PIM1 (0.37) SYKKCNH2PIM1HSP90AA1PTGS1

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