SCHEMBL30101964

SCHEMBL30101964

O=c1c2cc(-c3ccc(Cl)nc3)nc(-c3cccnc3)c2ncn1[C@@H]1CC[C@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
KCNH2 Q12809 2/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM1 P11309 13/20 0.36
MYLK Q15746 1/20 0.34
PIK3CA P42336 1/20 0.33
AKT1 P31749 1/20 0.33
MTOR P42345 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
SCHEMBL23950769 1.00 CYP2A6 (0.39) CYP2A6KCNH2CLK1DYRK1APIM1
SCHEMBL23925582 1.00 CYP2A6 (0.39) CYP2A6KCNH2CLK1DYRK1APIM1
SCHEMBL25463141 0.93 CLK1 (0.38) KCNH2CLK1DYRK1APIM1MYLK
SCHEMBL23950535 0.93 CLK1 (0.38) KCNH2CLK1DYRK1APIM1MYLK
SCHEMBL23950537 0.93 CLK1 (0.38) KCNH2CLK1DYRK1APIM1MYLK
SCHEMBL23950752 0.90 CLK1 (0.41) CYP2A6KCNH2CLK1DYRK1APIM1
SCHEMBL23925494 0.90 CLK1 (0.41) CYP2A6KCNH2CLK1DYRK1APIM1
SCHEMBL23925639 0.88 CLK1 (0.36) KCNH2CLK1DYRK1APIM1PIK3CA
SCHEMBL23950604 0.88 CLK1 (0.36) KCNH2CLK1DYRK1APIM1PIK3CA
SCHEMBL23950991 0.88 KCNH2 (0.38) KCNH2CLK1DYRK1APIM1

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