SCHEMBL30925

SCHEMBL30925

CN1CCN(c2ccc(Nc3nc4c(-c5cnc6nccnc6c5)cccn4n3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.64
PTK2 Q05397 20/20 0.64
JAK3 P52333 19/20 0.64
JAK1 P23458 1/20 0.63

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
SCHEMBL20007 0.88 JAK2 (0.53) JAK2PTK2JAK3JAK1
SCHEMBL2634439 0.78 JAK2 (1.00) JAK2PTK2JAK3JAK1
SCHEMBL15221135 0.78 JAK2 (0.53) JAK2PTK2JAK3
SCHEMBL2634395 0.77 JAK3 (1.00) JAK2PTK2JAK3JAK1
SCHEMBL19111 0.77 JAK2 (0.56) JAK2PTK2JAK3JAK1
SCHEMBL3764548 0.77 JAK2 (1.00) JAK2PTK2JAK3JAK1
SCHEMBL2634635 0.76 JAK2 (1.00) JAK2PTK2JAK3JAK1
SCHEMBL24181 0.76 JAK2 (0.56) JAK2PTK2JAK3JAK1
SCHEMBL2634487 0.76 JAK2 (1.00) JAK2PTK2JAK3JAK1
SCHEMBL15416863 0.75 JAK2 (0.77) JAK2PTK2JAK3JAK1

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