SCHEMBL31661616

SCHEMBL31661616

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(C3(C)CCCc4sc(N)c(C#N)c43)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.59
SOS1 Q07889 2/20 0.52
USP1 O94782 6/20 0.33
HSD11B1 P28845 4/20 0.31
HSD17B1 P14061 1/20 0.31
HSD11B2 P80365 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
SCN9A Q15858 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
SCHEMBL31661745 0.78 KRAS (0.35) KRASSOS1USP1SCN9A
SCHEMBL31661747 0.78 KRAS (0.35) KRASSOS1USP1SCN9A
SCHEMBL31661808 0.76 KRAS (0.45) KRASSOS1SCN9A
SCHEMBL31661613 0.75 GRM5 (0.40) USP1
SCHEMBL26287232 0.74 KRAS (1.00) KRASSOS1
SCHEMBL31661633 0.73 CHUK (0.34) USP1SCN9A
SCHEMBL25763759 0.71 KRAS (0.63) KRASSOS1
SCHEMBL25763213 0.69 KRAS (0.61) KRASSOS1
SCHEMBL25768152 0.69 KRAS (0.61) KRASSOS1
SCHEMBL25763578 0.68 KRAS (0.66) KRASSOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO claimed
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed