SCHEMBL30101937

SCHEMBL30101937

CC(CO)n1cnc2c(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
AHR P35869 1/20 0.38
TOP1 P11387 2/20 0.38
PIM1 P11309 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 3/20 0.36
TSPO P30536 1/20 0.35
S1PR1 P21453 1/20 0.35
NPY5R Q15761 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL23390259 1.00 EGLN1 (0.40) EGLN1PTGS1PTGS2AHRTOP1
SCHEMBL23390257 1.00 EGLN1 (0.40) EGLN1PTGS1PTGS2AHRTOP1
SCHEMBL23390113 0.92 PIM1 (0.38) EGLN1PTGS1PTGS2PIM1CYP11B1
SCHEMBL29611693 0.92 PIM1 (0.38) EGLN1PTGS1PTGS2PIM1CYP11B1
SCHEMBL23390111 0.92 PIM1 (0.38) EGLN1PTGS1PTGS2PIM1CYP11B1
SCHEMBL23950645 0.92 EGLN1 (0.39) EGLN1PTGS1PTGS2AHRTOP1
SCHEMBL23950999 0.91 PIM1 (0.37) EGLN1PTGS1PTGS2TOP1PIM1
SCHEMBL23925586 0.91 EGLN1 (0.39) EGLN1PTGS1PTGS2AHRTOP1
SCHEMBL23390306 0.91 CYP2A6 (0.39) EGLN1PIM1LMNAADORA2AADORA1
SCHEMBL23390302 0.91 CYP2A6 (0.39) EGLN1PIM1LMNAADORA2AADORA1

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