SCHEMBL4759759

SCHEMBL4759759

Nc1nn2ccnc2c(N)c1-c1cc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.35
JAK3 P52333 16/20 0.35
NUDT1 P36639 1/20 0.32

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
SCHEMBL4757863 0.73 NUDT1 (0.35) JAK2JAK3NUDT1
SCHEMBL4760688 0.73 NPC1 (0.41) JAK2JAK3NUDT1
SCHEMBL4709570 0.71 KDM4E (0.38) JAK2JAK3NUDT1
SCHEMBL5453382 0.70 KDM4E (0.37) JAK2JAK3
SCHEMBL5741027 0.62 SMPD3 (0.50) JAK2JAK3NUDT1
SCHEMBL20295422 0.62 CCNE1 (0.31)
SCHEMBL19766651 0.60 NUDT1 (0.41) JAK2JAK3NUDT1
SCHEMBL3427015 0.59 JAK2 (0.56) JAK2JAK3
SCHEMBL1673128 0.59
SCHEMBL5474572 0.59 NUDT1 (0.43) JAK2JAK3NUDT1

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-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed