SCHEMBL21733771

SCHEMBL21733771

C=CC(=O)N1CCN(c2nc(OC)nc3c2CCC(c2cc(O)cc4ccccc24)C3)CC1CC#N

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.56
▸ SOS1 Q07889 4/20 0.55

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
SCHEMBL21733713 0.92 KRAS (0.54) KRASSOS1
SCHEMBL21733776 0.91 KRAS (0.51) KRASSOS1
SCHEMBL21722299 0.90 KRAS (0.70) KRASSOS1
SCHEMBL21722282 0.90 KRAS (0.70) KRASSOS1
SCHEMBL30177862 0.90 KRAS (0.70) KRASSOS1
SCHEMBL21722153 0.90 KRAS (0.70) KRASSOS1
SCHEMBL21722156 0.90 KRAS (0.70) KRASSOS1
SCHEMBL21733446 0.90 KRAS (0.70) KRASSOS1
SCHEMBL21722175 0.90 KRAS (0.70) KRASSOS1
SCHEMBL30178151 0.90 KRAS (0.70) 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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