SCHEMBL4761600

SCHEMBL4761600

OC12CC3CC(C1)C(Nc1cc[nH]c1)C(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.44
▸ JAK1 P23458 5/20 0.44
▸ TYK2 P29597 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ EPHX2 P34913 4/20 0.38
▸ HSD11B1 P28845 11/20 0.37
▸ HSD11B2 P80365 1/20 0.36

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
SCHEMBL4762436 1.00 JAK2 (0.44) JAK2JAK1TYK2JAK3EPHX2
SCHEMBL4762760 0.82 JAK2 (0.31) JAK2JAK1TYK2JAK3
SCHEMBL4762388 0.80 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL2732462 0.78 HSD11B1 (0.44) JAK2JAK1TYK2JAK3EPHX2
SCHEMBL4762806 0.72 JAK2 (0.32) JAK2JAK1JAK3
SCHEMBL23480090 0.70 JAK3 (0.43) JAK2JAK1TYK2JAK3EPHX2
SCHEMBL1154015 0.68 JAK2 (0.60) JAK2JAK1TYK2JAK3HSD11B1
SCHEMBL1154014 0.68 JAK2 (0.60) JAK2JAK1TYK2JAK3HSD11B1
SCHEMBL12888143 0.68 JAK2 (0.60) JAK2JAK1TYK2JAK3HSD11B1
SCHEMBL1154013 0.68 JAK2 (0.60) JAK2JAK1TYK2JAK3HSD11B1

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-1966200-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-09-10 — — EP disclosed
WO-2007077949-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-07-12 — — WO disclosed
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