SCHEMBL30932

SCHEMBL30932

COc1cc(Nc2nc3c(N4CCCCC4c4ccc(F)cc4)cccn3n2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.50
JAK3 P52333 18/20 0.50
PTK2 Q05397 14/20 0.46
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
JAK1 P23458 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
SCHEMBL24265 0.85 JAK2 (0.40) JAK2JAK3PTK2PSEN1PSEN2
SCHEMBL19966 0.76 DYRK1A (0.47) JAK2JAK3PTK2
SCHEMBL19742 0.73 JAK2 (0.40) JAK2JAK3PTK2JAK1
SCHEMBL21595 0.70 SYK (0.42) JAK2JAK3PTK2JAK1
SCHEMBL15210625 0.68 JAK2 (0.47) JAK2JAK3PTK2
SCHEMBL2634313 0.67 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL20350 0.66 JAK2 (0.43) JAK2JAK3PTK2
SCHEMBL3770962 0.65 JAK2 (0.81) JAK2JAK3PTK2JAK1
SCHEMBL3764604 0.65 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL3212704 0.64 JAK2 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed