SCHEMBL19723112

SCHEMBL19723112

C=CNC(=O)c1cc(OC)nn(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 11/20 0.53
▸ P2RY14 Q15391 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.38
▸ P2RX7 Q99572 3/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ PTGER4 P35408 1/20 0.37

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
SCHEMBL2631928 0.84 PDPK1 (0.52) PDPK1P2RY14PDE10AP2RX7PTGER4
SCHEMBL2621698 0.83 PDPK1 (0.61) PDPK1PDE10A
SCHEMBL19723059 0.79 PDPK1 (0.57) PDPK1P2RY14
SCHEMBL2632134 0.74 PDPK1 (0.80) PDPK1PDE10A
SCHEMBL12182671 0.74 PDPK1 (0.48) PDPK1P2RY14PDE10AP2RX7
SCHEMBL2621699 0.73 PDPK1 (0.58) PDPK1
SCHEMBL2621658 0.73 PDPK1 (0.50) PDPK1P2RY14P2RX7PTGER4
SCHEMBL2621645 0.73 GAA (0.51) PDPK1P2RY14P2RX7FGFR1FGFR4
SCHEMBL13534298 0.72 PDPK1 (0.51) PDPK1P2RY14P2RX7FGFR1FGFR4
SCHEMBL2120820 0.70 PDPK1 (1.00) 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
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
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