SCHEMBL13746496

SCHEMBL13746496

CC1CN(c2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)nc3)n2)CC(C)O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.45
SYK P43405 8/20 0.45
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 2/20 0.42
KCNH2 Q12809 2/20 0.42
JAK2 O60674 6/20 0.41
PTK6 Q13882 1/20 0.40
FLT3 P36888 1/20 0.39
IGF1R P08069 1/20 0.38

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
SCHEMBL1060202 1.00 ZAP70 (0.45) ZAP70SYKJAK1JAK3BTK
SCHEMBL13746494 0.92 ZAP70 (0.45) ZAP70SYKJAK1JAK3BTK
SCHEMBL1056395 0.92 ZAP70 (0.45) ZAP70SYKJAK1JAK3BTK
SCHEMBL1057874 0.90 ZAP70 (0.46) ZAP70SYKJAK1JAK3BTK
SCHEMBL1058458 0.88 JAK2 (0.46) ZAP70SYKJAK1JAK3BTK
SCHEMBL1057114 0.86 SYK (0.45) ZAP70SYKJAK1JAK3BTK
SCHEMBL1058717 0.86 ZAP70 (0.46) ZAP70SYKJAK1JAK3JAK2
SCHEMBL1057940 0.86 ZAP70 (0.44) ZAP70SYKJAK1JAK3BTK
SCHEMBL1057174 0.85 ZAP70 (0.62) ZAP70SYKJAK1JAK3JAK2
SCHEMBL1053641 0.85 SYK (0.56) ZAP70SYKJAK1JAK3JAK2

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