SCHEMBL13745794

SCHEMBL13745794

O=c1[nH]cnc2cc(-c3cccc(Cl)c3-c3cccc(Cl)c3Cl)nc(Nc3ccc(N4CCCCC4)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.51
SYK P43405 8/20 0.46
IP6K1 Q92551 3/20 0.40
IP6K3 Q96PC2 1/20 0.38
JAK2 O60674 3/20 0.38
FGFR1 P11362 4/20 0.37
SRC P12931 4/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDGFRB P09619 1/20 0.36
SLC2A1 P11166 1/20 0.36
PDGFRA P16234 1/20 0.36
PKMYT1 Q99640 1/20 0.36

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
SCHEMBL1059643 0.93 ZAP70 (0.61) ZAP70SYKJAK2FGFR1SRC
SCHEMBL1059778 0.87 ZAP70 (0.65) ZAP70SYKJAK2FGFR1SRC
SCHEMBL13745877 0.83 ZAP70 (0.50) ZAP70SYKIP6K1IP6K3JAK2
SCHEMBL1058392 0.82 ZAP70 (0.75) ZAP70SYKJAK2GAAMAPT
SCHEMBL12962050 0.79 ZAP70 (0.58) ZAP70SYKJAK2GAAMAPT
SCHEMBL14641827 0.79 ZAP70 (0.56) ZAP70SYKJAK2MAPTMAPK1
SCHEMBL13745880 0.78 SYK (0.61) ZAP70SYKIP6K1IP6K3JAK2
SCHEMBL1053661 0.78 ZAP70 (0.61) ZAP70SYKJAK2SRCGAA
SCHEMBL1059339 0.77 ZAP70 (0.59) ZAP70SYKJAK2SLC2A1
SCHEMBL1060495 0.77 ZAP70 (0.62) ZAP70SYKJAK2SRCGAA

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-2009099801-A1 PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-08-13 WO disclosed