SCHEMBL4540676

SCHEMBL4540676

O=[C]c1cccn(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ EGLN1 Q9GZT9 2/20 0.42
▸ VEGFA P15692 1/20 0.42
▸ PDPK1 O15530 14/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 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
SCHEMBL3156938 0.79 BRD4 (0.50) MAPTEGLN1VEGFALMNA
SCHEMBL4540682 0.77 PDPK1 (0.45) MAPTTHRBEGLN1VEGFAPDPK1
SCHEMBL2621619 0.76 SMN1; SMN2 (0.53) MAPTPDPK1LMNATP53
SCHEMBL18302940 0.75 SMN1; SMN2 (0.64) PDPK1
SCHEMBL3348497 0.75 SMN1; SMN2 (0.52) PDPK1
SCHEMBL14307762 0.75 PDPK1 (0.49) MAPTPDPK1LMNATP53
SCHEMBL13306807 0.75 PDPK1 (0.54) MAPTPDPK1LMNA
SCHEMBL14309131 0.72 PDPK1 (0.41) MAPTTHRBEGLN1VEGFAPDPK1
SCHEMBL13306800 0.72 MAPT (0.56) MAPTPDPK1
SCHEMBL9359813 0.72 MAPT (0.55) MAPTTHRBEGLN1VEGFALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 — — EP disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 — — EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 — — WO disclosed
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