SCHEMBL21912129

SCHEMBL21912129

C=CC(=O)N1CCN(c2nc(OC[C@@H](C)CCCC)nc3c2CCC(C=C)C3)CC1CC#N

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.53
▸ SOS1 Q07889 5/20 0.40

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
SCHEMBL21734112 0.74 KRAS (0.55) KRASSOS1
SCHEMBL21896268 0.73 KRAS (0.37) KRASSOS1
SCHEMBL21733651 0.72 KRAS (0.69) KRASSOS1
SCHEMBL29622580 0.71 KRAS (0.56) KRASSOS1
SCHEMBL29622208 0.71 KRAS (0.56) KRASSOS1
SCHEMBL21895566 0.71 KRAS (0.57) KRASSOS1
SCHEMBL21846319 0.71 KRAS (0.46) KRASSOS1
SCHEMBL21733771 0.70 KRAS (0.56) KRASSOS1
SCHEMBL29568245 0.70 KRAS (0.54) KRASSOS1
SCHEMBL29567991 0.70 KRAS (0.54) KRASSOS1

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-2020055755-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
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