SCHEMBL30101950

SCHEMBL30101950

Cn1cc(-c2cc3c(=O)n(C4CCC(O)CC4)cnc3c(-c3cnn(C)c3)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.45
MTOR P42345 1/20 0.45
EGFR P00533 8/20 0.40
PIM1 P11309 4/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
MAP4K1 Q92918 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
IRAK1 P51617 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
SCHEMBL23950755 1.00 PIK3CA (0.45) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL23950712 0.92 PIK3CA (0.41) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL25463600 0.92 PIK3CA (0.41) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL23950919 0.89 PIK3CA (0.39) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL30101847 0.89 PIK3CA (0.39) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL23950541 0.88 EGFR (0.41) PIK3CAMTOREGFRPIM1IRAK1
SCHEMBL23925737 0.86 PIK3CA (0.41) PIK3CAMTOREGFRTYRO3MERTK
SCHEMBL25463142 0.86 PIK3CA (0.41) PIK3CAMTOREGFRTYRO3MERTK
SCHEMBL25463143 0.84 PIK3CA (0.40) PIK3CAMTOREGFRTYRO3MERTK
SCHEMBL30102054 0.84 PIK3CA (0.40) PIK3CAMTOREGFRTYRO3MERTK

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