SCHEMBL4745273

SCHEMBL4745273

COc1cc2c(cc1OCCCC1CCCNC1)ncc1c(N)nc(-c3cccnc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 17/20 0.67
ACP1 P24666 2/20 0.49
RPS6KB1 P23443 3/20 0.48
AKT1 P31749 3/20 0.48
DNMT1 P26358 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46

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
SCHEMBL4745618 0.82 PDPK1 (0.84) PDPK1RPS6KB1AKT1
SCHEMBL4745164 0.81 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4741697 0.81 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4887785 0.80 PDPK1 (0.98) PDPK1RPS6KB1AKT1DNMT1EHMT2
SCHEMBL4893148 0.80 PDPK1 (1.00) PDPK1RPS6KB1AKT1DNMT1EHMT2
SCHEMBL4741789 0.76 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4742016 0.75 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL6591706 0.75 EHMT2 (0.44) ACP1EHMT2
SCHEMBL30136401 0.75 PDGFRB (0.52) ACP1EHMT2
SCHEMBL4745819 0.74 PDPK1 (0.62) 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