SCHEMBL21846436

SCHEMBL21846436

C=CC(=O)CCCCN(C[C@@H](C)CC#N)c1nc(OCCCN2C[C@@H]3C[C@H]2CO3)nc(CC)c1CCCCc1cccc2cccc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.35

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
SCHEMBL21895745 0.79 — —
SCHEMBL21912187 0.76 KRAS (0.47) KRAS
SCHEMBL21912059 0.72 — —
SCHEMBL25020002 0.71 — —
SCHEMBL21895575 0.70 — —
SCHEMBL21895637 0.69 KRAS (0.36) KRAS
SCHEMBL25021552 0.69 CHRNB4 (0.38) KRAS
SCHEMBL21896266 0.69 — —
SCHEMBL21895536 0.67 TLR7 (0.38) KRAS
SCHEMBL21895564 0.67 — —

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-2020055760-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
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