SCHEMBL13745877

SCHEMBL13745877

O=c1[nH]cnc2cc(-c3ccc(F)cc3Cl)nc(Nc3ccc(N4CCCCC4)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.50
SYK P43405 11/20 0.48
IP6K1 Q92551 3/20 0.42
IP6K3 Q96PC2 1/20 0.41
JAK2 O60674 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
WEE1 P30291 1/20 0.39

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
SCHEMBL1059320 0.93 ZAP70 (0.59) ZAP70SYKJAK2MAPTMAPK1
SCHEMBL1059382 0.89 ZAP70 (0.55) ZAP70SYKJAK2MAPTMAPK1
SCHEMBL1053661 0.84 ZAP70 (0.61) ZAP70SYKJAK2GAAMAPT
SCHEMBL1056409 0.84 SYK (0.56) ZAP70SYKJAK2
SCHEMBL13745794 0.83 ZAP70 (0.51) ZAP70SYKIP6K1IP6K3JAK2
SCHEMBL1053031 0.83 ZAP70 (0.59) ZAP70SYKJAK2
SCHEMBL1058392 0.81 ZAP70 (0.75) ZAP70SYKJAK2GAAMAPT
SCHEMBL13745880 0.81 SYK (0.61) ZAP70SYKIP6K1IP6K3JAK2
SCHEMBL1060495 0.80 ZAP70 (0.62) ZAP70SYKJAK2GAAMAPT
SCHEMBL1058391 0.79 SYK (0.69) ZAP70SYKJAK2MAPTHTT

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