SCHEMBL26947438

SCHEMBL26947438

CN1CCCC1COc1nc(N2CCNC(CC#N)C2)c2cnc(Cl)c(F)c2n1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.53

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
SCHEMBL22586963 0.88 KRAS (0.52) KRAS
SCHEMBL27117434 0.87 KRAS (0.51) KRAS
SCHEMBL22220480 0.86 KRAS (0.61) KRAS
SCHEMBL22220169 0.85 KRAS (0.77) KRAS
SCHEMBL22220709 0.85 KRAS (0.77) KRAS
SCHEMBL30064960 0.85 KRAS (0.77) KRAS
SCHEMBL26947411 0.85 KRAS (0.77) KRAS
SCHEMBL30064906 0.85 KRAS (0.77) KRAS
SCHEMBL26932676 0.85 KRAS (0.77) KRAS
SCHEMBL30064886 0.85 KRAS (0.71) 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-2023240188-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 — — WO disclosed
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