SCHEMBL4761963

SCHEMBL4761963

c1cc(NC23CC4CC(CC(C4)C2)C3)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL138594 0.72 EPHX2 (0.56) EPHX2FAAHALDH1A1TSHR
Hydrochloric Acid SCHEMBL27845477 0.71 EPHX2 (0.54) EPHX2FAAHALDH1A1TSHR
SCHEMBL11447009 0.69 POLB (0.53) EPHX2JAK2JAK1JAK3GRIN2D
SCHEMBL7980459 0.69 EPHX2 (0.58) EPHX2ALDH1A1TSHR
SCHEMBL1074612 0.67 EPHX2 (0.39) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18196867 0.67 CNR2 (0.39) EPHX2JAK2JAK1JAK3FAAH
SCHEMBL4762436 0.66 JAK2 (0.44) EPHX2JAK2JAK1JAK3
SCHEMBL4762760 0.66 JAK2 (0.31) JAK2JAK1JAK3
SCHEMBL4761600 0.66 JAK2 (0.44) EPHX2JAK2JAK1JAK3
SCHEMBL21309807 0.66 PGR (0.45) EPHX2

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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