SCHEMBL4745573

SCHEMBL4745573

CCN(Oc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 0.60
RPS6KB1 P23443 13/20 0.60
AKT1 P31749 13/20 0.60

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
SCHEMBL4745144 0.86 PDPK1 (0.65) PDPK1RPS6KB1AKT1
SCHEMBL4898760 0.79 PDPK1 (0.67) PDPK1RPS6KB1AKT1
SCHEMBL4745774 0.79 PDPK1 (0.81) PDPK1RPS6KB1AKT1
SCHEMBL4896634 0.79 PDPK1 (0.61) PDPK1RPS6KB1AKT1
SCHEMBL4741564 0.78 PDPK1 (0.60) PDPK1RPS6KB1AKT1
SCHEMBL4786079 0.78 PDPK1 (0.60) PDPK1RPS6KB1AKT1
SCHEMBL4741563 0.78 PDPK1 (0.60) PDPK1RPS6KB1AKT1
SCHEMBL4741566 0.78 PDPK1 (0.60) PDPK1RPS6KB1AKT1
SCHEMBL4741604 0.78 PDPK1 (0.52) PDPK1RPS6KB1AKT1
SCHEMBL4899321 0.78 PDPK1 (0.64) 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