SCHEMBL19982892

SCHEMBL19982892

CNc1ccc(Nc2nc3c(-c4ccccc4-c4ccccc4)nccn3n2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.44
JAK3 P52333 17/20 0.44
PTK2 Q05397 9/20 0.39
SYK P43405 1/20 0.39
EIF2AK4 Q9P2K8 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
SCHEMBL15221168 0.84 KDR (0.39) JAK2JAK3PTK2SYKEIF2AK4
SCHEMBL15212646 0.80 JAK2 (0.55) JAK2JAK3PTK2SYK
SCHEMBL15210695 0.79 JAK2 (0.58) JAK2JAK3PTK2
SCHEMBL15210689 0.78 JAK2 (0.41) JAK2JAK3PTK2SYKEIF2AK4
SCHEMBL15210810 0.78 JAK2 (0.58) JAK2JAK3PTK2
SCHEMBL15210487 0.78 PSEN1 (0.47) JAK2JAK3PTK2SYKEIF2AK4
SCHEMBL21968 0.78 JAK2 (0.54) JAK2JAK3PTK2
SCHEMBL15221161 0.77 JAK2 (0.41) JAK2JAK3PTK2SYKEIF2AK4
SCHEMBL15212684 0.77 JAK2 (0.53) JAK2JAK3PTK2
SCHEMBL15221151 0.77 JAK2 (0.46) 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
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