SCHEMBL30391500

SCHEMBL30391500

Fc1nc(OCC23CCCN2CCC3)nc2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 19/20 0.44

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
SCHEMBL29418775 0.86 KRAS (0.40) KRAS
SCHEMBL25419645 0.86 KRAS (0.40) KRAS
SCHEMBL29680000 0.83 KRAS (0.39) KRAS
SCHEMBL29680448 0.81 KRAS (0.39) KRAS
Trifluoroacetic Acid SCHEMBL29418842 0.80 KRAS (0.38) KRAS
SCHEMBL29418819 0.76 KRAS (0.48) KRAS
SCHEMBL30704160 0.76 KRAS (0.48) KRAS
SCHEMBL31194908 0.74 KRAS (0.47) KRAS
SCHEMBL31748999 0.73 ROCK2 (0.43) —
SCHEMBL30391398 0.72 KRAS (0.37) 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
EP-4182313-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-05-24 — — EP disclosed
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