SCHEMBL4741819

SCHEMBL4741819

COc1cc2ncc3c(N)nc(-c4cncc(CC[C@@]5(P(=O)(c6ccccc6)c6ccccc6)CN5)c4)cc3c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 0.55
RPS6KB1 P23443 3/20 0.54
AKT1 P31749 3/20 0.54

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
SCHEMBL4745275 0.87 PDPK1 (0.60) PDPK1RPS6KB1AKT1
SCHEMBL4741817 0.81 PDPK1 (0.55) PDPK1RPS6KB1AKT1
SCHEMBL4741821 0.81 PDPK1 (0.55) PDPK1RPS6KB1AKT1
SCHEMBL4745265 0.78 PDPK1 (0.62) PDPK1RPS6KB1AKT1
SCHEMBL4741619 0.77 PDPK1 (0.76) PDPK1RPS6KB1AKT1
SCHEMBL4743576 0.76 PDPK1 (0.70) PDPK1RPS6KB1AKT1
SCHEMBL4741569 0.76 PDPK1 (0.64) PDPK1RPS6KB1AKT1
SCHEMBL4744908 0.75 PDPK1 (0.67) PDPK1RPS6KB1AKT1
SCHEMBL4897421 0.74 PDPK1 (0.62) PDPK1RPS6KB1AKT1
SCHEMBL4745766 0.74 PDPK1 (0.57) 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