SCHEMBL31662029

SCHEMBL31662029

COc1nc(-c2c(C(F)(F)F)c(C)cc3c2cnn3C2CCCCO2)c(F)c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc(N[C@H](C)c3cccnc3N)c12

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.43

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
Trifluoroacetic Acid SCHEMBL31662115 0.87 KRAS (0.46) KRAS
SCHEMBL31526935 0.86 KRAS (0.45) KRAS
SCHEMBL31662106 0.85 ATR (0.32) KRAS
SCHEMBL31662196 0.84 KRAS (0.44) KRAS
SCHEMBL31662121 0.83 ATR (0.31) KRAS
SCHEMBL31243045 0.80 KRAS (0.46) KRAS
SCHEMBL31662357 0.79 KRAS (0.43) KRAS
SCHEMBL31662116 0.79 KRAS (0.41) KRAS
SCHEMBL31526978 0.79 KRAS (0.47) KRAS
SCHEMBL31662041 0.77 KRAS (0.55) KRAS

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