SCHEMBL13330362

SCHEMBL13330362

O=C(NCCC1CCCN1)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.57
JAK2 O60674 12/20 0.57
JAK1 P23458 8/20 0.57

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
SCHEMBL13330241 0.89 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL2377282 0.77 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL2377027 0.77 JAK3 (0.69) JAK3JAK2JAK1
SCHEMBL2377517 0.77 JAK2 (0.70) JAK3JAK2JAK1
SCHEMBL2377752 0.77 JAK2 (0.56) JAK3JAK2JAK1
SCHEMBL2377072 0.76 JAK3 (0.69) JAK3JAK2JAK1
SCHEMBL2376721 0.76 JAK2 (0.61) JAK3JAK2JAK1
SCHEMBL2377479 0.76 JAK3 (0.52) JAK3JAK2JAK1
SCHEMBL2377190 0.76 JAK3 (0.72) JAK3JAK2JAK1
SCHEMBL2378478 0.76 JAK2 (0.52) JAK3JAK2JAK1

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
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed