SCHEMBL13745953

SCHEMBL13745953

Nc1ccc(Nc2nc(N[C@@H]3CCCNC3)cc3nc[nH]c(=O)c23)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.67
JAK2 O60674 9/20 0.67
ZAP70 P43403 9/20 0.67
LYN P07948 8/20 0.67
RET P07949 1/20 0.46
FLT3 P36888 1/20 0.46
ALK Q9UM73 1/20 0.46
KCNH2 Q12809 4/20 0.44
AURKB Q96GD4 3/20 0.44
SLC2A1 P11166 1/20 0.44
PRKCZ Q05513 2/20 0.41
PRKD2 Q9BZL6 2/20 0.41
IP6K1 Q92551 1/20 0.41
BRD4 O60885 1/20 0.41
MAPK3 P27361 2/20 0.40
MAPK1 P28482 2/20 0.40
PLK4 O00444 1/20 0.38
CDK2 P24941 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL1053859 0.91 SYK (0.71) SYKJAK2ZAP70LYNRET
SCHEMBL1053640 0.91 SYK (0.67) SYKJAK2ZAP70LYNRET
SCHEMBL3403293 0.90 SYK (0.64) SYKJAK2ZAP70LYNRET
SCHEMBL1060374 0.89 SYK (0.63) SYKJAK2ZAP70LYNRET
SCHEMBL1051535 0.87 SYK (0.65) SYKJAK2ZAP70LYNRET
SCHEMBL1053445 0.86 SYK (0.60) SYKJAK2ZAP70LYNFLT3
SCHEMBL1053861 0.86 SYK (0.60) SYKJAK2ZAP70LYNFLT3
SCHEMBL1056396 0.85 SYK (0.59) SYKJAK2ZAP70LYNRET
SCHEMBL1056762 0.84 SYK (0.58) SYKJAK2ZAP70LYNRET
SCHEMBL1057690 0.83 SYK (0.65) SYKJAK2ZAP70LYNRET

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