SCHEMBL31234985

SCHEMBL31234985

COCOc1cc(-c2cc3nc(OC[C@@]45CCCN4C[C@H](F)C5)ncc3c(N3CCCC3)n2)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
RAF1 P04049 1/20 0.40

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
SCHEMBL31235118 0.99 KRAS (0.44) KRASMAPK3MAPK1RAF1
SCHEMBL31235146 0.94 KRAS (0.41) KRASMAPK3MAPK1RAF1
SCHEMBL31235465 0.92 KRAS (0.45) KRASMAPK3MAPK1RAF1
SCHEMBL31235255 0.92 KRAS (0.39) KRASMAPK3MAPK1RAF1
SCHEMBL31235464 0.91 KRAS (0.53) KRASMAPK3MAPK1RAF1
SCHEMBL31235434 0.91 KRAS (0.53) KRASMAPK3MAPK1RAF1
SCHEMBL31234959 0.91 KRAS (0.48) KRASMAPK3MAPK1
SCHEMBL31235300 0.90 KRAS (0.53) KRASMAPK3MAPK1RAF1
SCHEMBL31235266 0.89 KRAS (0.46) KRASMAPK3MAPK1RAF1
SCHEMBL31235347 0.89 KRAS (0.53) KRASMAPK3MAPK1RAF1

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