SCHEMBL4747112

SCHEMBL4747112

COCCOc1cc2ncc3c(N)nc(NC4CCCCC4)nc3c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.53
CCR4 P51679 1/20 0.50
EHMT2 Q96KQ7 3/20 0.47
EHMT1 Q9H9B1 2/20 0.47
PDGFRB P09619 3/20 0.47
PDGFRA P16234 3/20 0.47
NSD2 O96028 2/20 0.42
DNMT1 P26358 1/20 0.41

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
SCHEMBL4747115 0.79 PDPK1 (0.55) PDPK1
SCHEMBL4747760 0.78 PDPK1 (0.56) PDPK1PDGFRBPDGFRA
SCHEMBL4746478 0.77 PDPK1 (0.52) PDPK1
SCHEMBL4747109 0.77 PDPK1 (0.70) PDPK1
SCHEMBL4747754 0.76 PDPK1 (0.68) PDPK1
SCHEMBL4744364 0.75 PDPK1 (0.54) PDPK1
SCHEMBL4745705 0.75 PDPK1 (0.54) PDPK1
SCHEMBL4929414 0.74 PDPK1 (0.58) PDPK1
SCHEMBL4745738 0.74 PDPK1 (0.61) PDPK1
SCHEMBL4744086 0.73 PDPK1 (0.68) PDPK1

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-2008109599-A1 PYRIMIDO [5,4-C] QUINOLINE-2, 4-DIAMINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2008-09-12 WO disclosed