SCHEMBL21846371

SCHEMBL21846371

CCCCCOc1nc2c(c(N(CCC)C[C@@H](C)CC#N)n1)CCN(c1cccc3cccc(Cl)c13)C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.40
▸ VHL P40337 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ MNAT1 P51948 1/20 0.39
▸ SOS1 Q07889 1/20 0.39

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
SCHEMBL21895551 0.85 KRAS (0.33) KRAS
SCHEMBL25020057 0.77 KRAS (0.41) KRASVHLCDK7CCNHMNAT1
SCHEMBL22087714 0.74 KRAS (0.47) KRASVHLCDK7CCNHMNAT1
SCHEMBL21846279 0.74 KRAS (0.36) KRAS
SCHEMBL22087721 0.73 KRAS (0.42) KRASVHLCDK7CCNHMNAT1
SCHEMBL22087711 0.72 KRAS (0.34) KRAS
SCHEMBL19637410 0.72 KRAS (0.37) KRAS
SCHEMBL24321978 0.70 KRAS (0.39) KRASVHLCDK7CCNHMNAT1
SCHEMBL22994735 0.70 KRAS (0.51) KRAS
SCHEMBL25699421 0.69 KRAS (0.44) KRASVHLCDK7CCNHMNAT1

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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