SCHEMBL30825596

SCHEMBL30825596

Oc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2cccc(F)c12

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.51

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
SCHEMBL29936949 0.85 KRAS (0.49) KRAS
SCHEMBL31662293 0.82 KRAS (0.42) KRAS
SCHEMBL31662314 0.80 KRAS (0.45) KRAS
SCHEMBL30704160 0.79 KRAS (0.48) KRAS
SCHEMBL30699434 0.79 KRAS (0.45) KRAS
SCHEMBL30998741 0.78 KRAS (0.51) KRAS
SCHEMBL31662335 0.78 KRAS (0.47) KRAS
SCHEMBL29936938 0.78 KRAS (0.47) KRAS
SCHEMBL29937188 0.78 KRAS (0.50) KRAS
SCHEMBL30049409 0.77 KRAS (0.53) 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-2024063576-A1 NOVEL QUINAZOLINE COMPOUND AS KRAS INHIBITOR 일동제약(주) 2024-03-28 — — WO disclosed
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