SCHEMBL12333265

SCHEMBL12333265

C=C(C)C1CN(C(=O)[C@@H](NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C2CCOCC2)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.65
JAK2 O60674 19/20 0.65
JAK3 P52333 19/20 0.65
TYK2 P29597 2/20 0.60

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
SCHEMBL12333267 1.00 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL2377455 0.86 JAK1 (0.88) JAK1JAK2JAK3TYK2
SCHEMBL2378875 0.86 JAK1 (0.88) JAK1JAK2JAK3TYK2
SCHEMBL18720813 0.84 JAK1 (0.71) JAK1JAK2JAK3TYK2
SCHEMBL18720804 0.82 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL18720810 0.82 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL18732888 0.82 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL18720770 0.81 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL18720795 0.80 JAK1 (0.79) JAK1JAK2JAK3TYK2
SCHEMBL1368278 0.80 JAK1 (0.86) JAK1JAK2JAK3TYK2

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-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed