SCHEMBL21734100

SCHEMBL21734100

C=CC(=O)N1CCN(c2ncnc3c2CC(C)[C@@H](c2nc(N)ccc2C(F)(F)F)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.53

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
SCHEMBL21733900 1.00 KRAS (0.53) KRAS
SCHEMBL21722148 1.00 KRAS (0.53) KRAS
SCHEMBL21733596 1.00 KRAS (0.53) KRAS
SCHEMBL30178116 1.00 KRAS (0.53) KRAS
SCHEMBL21722245 1.00 KRAS (0.53) KRAS
SCHEMBL24855322 0.86 KRAS (0.49) KRAS
SCHEMBL21722221 0.85 KRAS (0.59) KRAS
SCHEMBL21733392 0.85 KRAS (0.59) KRAS
SCHEMBL21733722 0.85 KRAS (0.59) KRAS
SCHEMBL21733390 0.85 KRAS (0.59) KRAS

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