SCHEMBL31661993

SCHEMBL31661993

COCOc1cc(-c2cc3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(NCCO[Si](C)(C)C(C)(C)C)c3c(OC)n2)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.35
MAPK3 P27361 3/20 0.34
MAPK1 P28482 3/20 0.34
RAF1 P04049 1/20 0.33

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
SCHEMBL31662319 0.91 KRAS (0.41) KRASMAPK3MAPK1RAF1
SCHEMBL31662340 0.89 KRAS (0.35) KRASMAPK3MAPK1RAF1
SCHEMBL31661964 0.86 KRAS (0.41) KRASMAPK3MAPK1RAF1
SCHEMBL31662143 0.81
SCHEMBL31662317 0.80 KRAS (0.43) KRASMAPK3MAPK1RAF1
SCHEMBL31527065 0.80 MAPK3 (0.41) KRASMAPK3MAPK1RAF1
SCHEMBL31661944 0.80
SCHEMBL31662485 0.79 KRAS (0.47) KRASMAPK3MAPK1
SCHEMBL31235118 0.79 KRAS (0.44) KRASMAPK3MAPK1RAF1
SCHEMBL31235465 0.79 KRAS (0.45) 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-2025151594-A1 FUSED AZINES AS RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS INC. (US) 2025-07-17 WO disclosed