SCHEMBL21733651

SCHEMBL21733651

C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2C[C@H](C)CC3)C[C@@H]1CC#N

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.69
▸ SOS1 Q07889 4/20 0.58

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
SCHEMBL23481645 0.90 KRAS (0.69) KRASSOS1
SCHEMBL23156743 0.87 KRAS (0.71) KRASSOS1
SCHEMBL28821186 0.87 KRAS (0.71) KRASSOS1
SCHEMBL23686048 0.86 KRAS (0.79) KRASSOS1
SCHEMBL23979705 0.85 KRAS (0.81) KRASSOS1
SCHEMBL23980275 0.85 KRAS (0.81) KRASSOS1
SCHEMBL23979693 0.85 KRAS (0.81) KRASSOS1
SCHEMBL23979708 0.85 KRAS (0.81) KRASSOS1
SCHEMBL23980269 0.85 KRAS (0.69) KRASSOS1
SCHEMBL23074900 0.84 KRAS (0.92) 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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