SCHEMBL21734112

SCHEMBL21734112

C=CC(=O)N1CCN(c2nc(OC)nc3c2CCCC3)CC1CC#N

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.55
▸ SOS1 Q07889 5/20 0.46

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
SCHEMBL21733717 0.88 KRAS (0.54) KRASSOS1
SCHEMBL21733774 0.86 KRAS (0.53) KRASSOS1
SCHEMBL21786275 0.85 KRAS (0.69) KRASSOS1
SCHEMBL26016793 0.84 KRAS (0.70) KRASSOS1
SCHEMBL26019245 0.83 KRAS (0.53) KRASSOS1
SCHEMBL19637319 0.83 KRAS (0.69) KRAS
SCHEMBL19636889 0.82 KRAS (0.69) KRASSOS1
SCHEMBL26019057 0.82 KRAS (0.56) KRASSOS1
SCHEMBL19636887 0.82 KRAS (0.65) KRASSOS1
SCHEMBL24788038 0.81 KRAS (0.78) 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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 — — WO disclosed
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