SCHEMBL30468374

SCHEMBL30468374

NCc1c(F)ccc(F)c1OCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.38
▸ HTR2B P41595 4/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ PARP10 Q53GL7 3/20 0.36
▸ PARP15 Q460N3 2/20 0.36
▸ PARP2 Q9UGN5 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
SCHEMBL22370975 1.00 HTR2C (0.38) HTR2CHTR2BHTR2AALOX5APFEN1
SCHEMBL22391549 0.79 RIPK1 (0.48) HTR2CHTR2BHTR2AALOX5APFEN1
SCHEMBL24180121 0.79 ALOX5AP (0.34) ALOX5APFEN1
SCHEMBL29786449 0.77 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL20472458 0.77 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL24018822 0.77 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL22371226 0.77 MAOB (0.40) HTR2CHTR2BHTR2AALOX5APFEN1
SCHEMBL30468385 0.77 MAOB (0.40) HTR2CHTR2BHTR2AALOX5APFEN1
SCHEMBL24180091 0.72 FEN1 (0.41) HTR2CHTR2BHTR2AALOX5APFEN1
SCHEMBL24180249 0.72 FEN1 (0.41) ALOX5APFEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566103-B Aminoimidazopyrazines as kinase inhibitors 百时美施贵宝公司 2023-06-23 — — CN disclosed
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