SCHEMBL29418874

SCHEMBL29418874

Nc1nc(OCC23CCCN2CCC3)nc2c(F)cncc12

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
SCHEMBL29418852 0.88 KRAS (0.49) KRAS
SCHEMBL29418868 0.88 KRAS (0.49) KRAS
SCHEMBL30391783 0.82 KRAS (0.43) KRAS
SCHEMBL30391380 0.81 KRAS (0.42) KRAS
SCHEMBL25419645 0.78 KRAS (0.40) KRAS
SCHEMBL29418775 0.78 KRAS (0.40) KRAS
SCHEMBL30669291 0.77 KRAS (0.44) KRAS
SCHEMBL30600191 0.76 KRAS (0.71) KRAS
SCHEMBL31691620 0.75 KRAS (0.51) KRAS
Trifluoroacetic Acid SCHEMBL30391092 0.73 KRAS (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192585-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-06-14 — — EP disclosed
WO-2022031678-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-02-10 — — WO disclosed
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