SCHEMBL15221237

SCHEMBL15221237

COc1cc(Nc2nc3c(N4CCC(N[S+](C)[O-])CC4)nccn3n2)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.39
JAK3 P52333 8/20 0.39
PTK2 Q05397 8/20 0.39
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ZAP70 P43403 1/20 0.35
SYK P43405 1/20 0.35
NUAK1 O60285 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
TP53 P04637 1/20 0.34
PDGFRA P16234 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
IGF1R P08069 1/20 0.33

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
SCHEMBL19982764 0.85 JAK2 (0.40) JAK2JAK3PTK2CCNCCDK8
SCHEMBL19983050 0.85 JAK2 (0.42) JAK2JAK3PTK2FLT1FLT4
SCHEMBL15210501 0.84 JAK2 (0.41) JAK2JAK3PTK2CCNCCDK8
SCHEMBL19502 0.84 JAK2 (0.41) JAK2JAK3PTK2CCNCCDK8
SCHEMBL16394499 0.83 JAK2 (0.47) JAK2JAK3PTK2CCNCCDK8
SCHEMBL20350 0.82 JAK2 (0.43) JAK2JAK3PTK2ZAP70SYK
SCHEMBL15210458 0.81 JAK2 (0.55) JAK2JAK3PTK2
SCHEMBL15210803 0.80 JAK3 (0.42) JAK2JAK3PTK2CCNCCDK8
SCHEMBL15210398 0.80 JAK2 (0.50) JAK2JAK3PTK2KDR
SCHEMBL19160 0.80 JAK2 (0.42) JAK2JAK3PTK2

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-2013124026-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed