SCHEMBL4810187

SCHEMBL4810187

CCCCCOc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 0.81
RPS6KB1 P23443 15/20 0.81
AKT1 P31749 15/20 0.81

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
SCHEMBL4744791 0.91 PDPK1 (0.90) PDPK1RPS6KB1AKT1
SCHEMBL4745581 0.90 PDPK1 (0.85) PDPK1RPS6KB1AKT1
SCHEMBL4741895 0.90 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4745774 0.90 PDPK1 (0.81) PDPK1RPS6KB1AKT1
SCHEMBL4897057 0.87 PDPK1 (0.77) PDPK1RPS6KB1AKT1
SCHEMBL4742079 0.87 PDPK1 (0.80) PDPK1RPS6KB1AKT1
SCHEMBL4745302 0.87 PDPK1 (0.79) PDPK1RPS6KB1AKT1
SCHEMBL4744784 0.86 PDPK1 (0.88) PDPK1RPS6KB1AKT1
SCHEMBL4744781 0.86 PDPK1 (0.88) PDPK1RPS6KB1AKT1
SCHEMBL4741687 0.85 PDPK1 (0.73) PDPK1RPS6KB1AKT1

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-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 WO disclosed