SCHEMBL21733502

SCHEMBL21733502

CNC/C=C/C(=O)N1CCN(c2ncnc3c2CCC(c2c(C)ccc4[nH]ncc24)C3)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 15/20 0.63
PAK1 Q13153 4/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL21243874 0.88 KRAS (0.79) KRAS
SCHEMBL21243889 0.88 KRAS (0.79) KRAS
SCHEMBL21243920 0.88 KRAS (0.79) KRAS
SCHEMBL24854607 0.87 KRAS (0.78) KRASPAK1RPS6KB1
SCHEMBL21733404 0.87 KRAS (0.78) KRASPAK1RPS6KB1
SCHEMBL30178135 0.87 KRAS (0.78) KRASPAK1RPS6KB1
SCHEMBL21733401 0.87 KRAS (0.78) KRASPAK1RPS6KB1
SCHEMBL21733402 0.87 KRAS (0.78) KRASPAK1RPS6KB1
SCHEMBL21734025 0.87 KRAS (0.78) KRASPAK1RPS6KB1
SCHEMBL30177726 0.87 KRAS (0.78) KRASPAK1RPS6KB1

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