SCHEMBL31732874

SCHEMBL31732874

c1nc2cnc(OCC34CCCN3CCC4)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 19/20 0.36

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
SCHEMBL31733170 0.85 KRAS (0.45) KRAS
SCHEMBL29634788 0.74 KRAS (0.45) KRAS
SCHEMBL29680448 0.72 KRAS (0.39) KRAS
SCHEMBL30576850 0.72 CYP1A2 (0.34) KRAS
SCHEMBL31733009 0.70 KRAS (0.33) KRAS
SCHEMBL29870817 0.69 HTR2C (0.40) KRAS
SCHEMBL30391380 0.68 KRAS (0.42) KRAS
SCHEMBL30983864 0.68 — —
SCHEMBL31380781 0.67 KRAS (0.42) KRAS
SCHEMBL30576854 0.67 KRAS (0.33) 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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