SCHEMBL31235232

SCHEMBL31235232

COCOc1cc(-c2cc3nc(SC)ncc3c(N3CCC3)n2)c2c(C#N)c(F)ccc2c1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.30
ALOX15 P16050 2/20 0.30
MAPK1 P28482 2/20 0.30
CASP1 P29466 2/20 0.30
CASP7 P55210 2/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
RUNX1 Q01196 1/20 0.30
CBFB Q13951 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
PABPC1 P11940 1/20 0.30
APEX1 P27695 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL31235289 0.90
SCHEMBL31235339 0.88
SCHEMBL31235060 0.86 CASP3 (0.30) MEN1MAPK1CASP1KMT2AHPGD
SCHEMBL31235217 0.80
SCHEMBL31234959 0.79 KRAS (0.48) MAPK1
SCHEMBL31235279 0.78
SCHEMBL31235441 0.78
SCHEMBL31235007 0.77
SCHEMBL31234998 0.77 KRAS (0.34) MAPK1
SCHEMBL31235130 0.75

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
WO-2024243025-A1 NAPHTHYL-SUBSTITUTED PYRIDO[4,3-D]PYRIMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2024-11-28 WO disclosed