SCHEMBL19983050

SCHEMBL19983050

COc1cc(Nc2nc3c(N4CCN([S+](C)[O-])CC4)nccn3n2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.42
JAK3 P52333 10/20 0.42
PTK2 Q05397 14/20 0.39
BRD4 O60885 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 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
SCHEMBL15210458 0.86 JAK2 (0.55) JAK2JAK3PTK2BRD4
SCHEMBL20350 0.85 JAK2 (0.43) JAK2JAK3PTK2FLT1FLT4
SCHEMBL15221237 0.85 JAK2 (0.39) JAK2JAK3PTK2FLT1FLT4
SCHEMBL19160 0.83 JAK2 (0.42) JAK2JAK3PTK2
SCHEMBL15210398 0.83 JAK2 (0.50) JAK2JAK3PTK2KDR
SCHEMBL24486 0.83 JAK2 (0.42) JAK2JAK3PTK2BRD4FLT1
SCHEMBL15212839 0.82 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL15221216 0.82 JAK2 (0.42) JAK2JAK3
SCHEMBL19502 0.82 JAK2 (0.41) JAK2JAK3PTK2FLT1FLT4
SCHEMBL15210501 0.82 JAK2 (0.41) JAK2JAK3PTK2FLT1FLT4

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
EP-2817310-B1 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) 2018-03-21 EP disclosed