SCHEMBL31733170

SCHEMBL31733170

F[C@H]1CN2CCC[C@@]2(COc2ncc3nc[nH]c3n2)C1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.45

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
SCHEMBL31732874 0.85 KRAS (0.36) KRAS
SCHEMBL31380781 0.83 KRAS (0.42) KRAS
SCHEMBL29936938 0.79 KRAS (0.47) KRAS
SCHEMBL30391732 0.77 KRAS (0.47) KRAS
SCHEMBL30391045 0.77 KRAS (0.47) KRAS
SCHEMBL30391087 0.77 KRAS (0.47) KRAS
Hydrochloric Acid SCHEMBL30391165 0.76 KRAS (0.46) KRAS
SCHEMBL30049409 0.76 KRAS (0.53) KRAS
SCHEMBL31380914 0.76 KRAS (0.44) KRAS
SCHEMBL29679980 0.75 KRAS (0.47) 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-2025236100-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2025-11-20 — — WO disclosed
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