SCHEMBL31235083

SCHEMBL31235083

COCOc1cc(-c2nc(N3CC[C@H](F)[C@@H]3C)c3cnc(SC)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 11/20 0.32
RAF1 P04049 2/20 0.32
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL31235512 1.00 KRAS (0.32) KRASRAF1MAPK3MAPK1
SCHEMBL31234905 0.93 KRAS (0.32) KRASRAF1MAPK3MAPK1
SCHEMBL31235501 0.93 KRAS (0.32) KRASRAF1MAPK3MAPK1
SCHEMBL31235019 0.89 KRAS (0.30) KRASRAF1
SCHEMBL31234998 0.88 KRAS (0.34) KRASMAPK3MAPK1
SCHEMBL31234974 0.87
SCHEMBL31235105 0.86 KRAS (0.32) KRASRAF1MAPK3MAPK1
SCHEMBL31235533 0.86 KRAS (0.32) KRASRAF1MAPK3MAPK1
SCHEMBL31235305 0.86 KRAS (0.31) KRASRAF1
SCHEMBL31235345 0.86 KRAS (0.31) KRASRAF1

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