SCHEMBL3961025

SCHEMBL3961025

CCOC(=O)C1CCN(c2ccc(Nc3nccc(-c4ccc(C(=O)N(C)C#N)cc4)n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.60
JAK3 P52333 16/20 0.60
HDAC1 Q13547 4/20 0.59
JAK1 P23458 14/20 0.56
BMPR1B O00238 1/20 0.54
PLK4 O00444 1/20 0.54
CIT O14578 1/20 0.54
GAK O14976 1/20 0.54
OPA1 O60313 1/20 0.54
ROCK2 O75116 1/20 0.54
STK16 O75716 1/20 0.54
PRKD3 O94806 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CDK2 P24941 1/20 0.54
MARK3 P27448 1/20 0.54
TYK2 P29597 1/20 0.54
BMPR1A P36894 1/20 0.54
TGFBR1 P36897 1/20 0.54
STAT3 P40763 1/20 0.54
STAT5A P42229 1/20 0.54

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
SCHEMBL3953685 0.92 JAK2 (0.59) JAK2JAK3HDAC1JAK1BMPR1B
SCHEMBL3955441 0.89 JAK2 (0.62) JAK2JAK3HDAC1JAK1BMPR1B
SCHEMBL3958904 0.86 JAK2 (0.63) JAK2JAK3HDAC1JAK1BMPR1B
SCHEMBL3956469 0.85 JAK2 (0.59) JAK2JAK3HDAC1JAK1BMPR1B
SCHEMBL4383495 0.84 JAK2 (0.69) JAK2JAK3HDAC1JAK1TYK2
SCHEMBL3618886 0.84 JAK2 (0.79) JAK2JAK3HDAC1JAK1BMPR1B
Hydrochloric Acid SCHEMBL2863016 0.83 JAK2 (0.78) JAK2JAK3HDAC1JAK1BMPR1B
SCHEMBL3956574 0.82 JAK2 (0.75) JAK2JAK3HDAC1JAK1TYK2
SCHEMBL3954596 0.82 JAK2 (0.60) JAK2JAK3HDAC1JAK1BMPR1B
SCHEMBL3619660 0.81 JAK2 (0.75) JAK2JAK3HDAC1JAK1BMPR1B

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
WO-2009029998-A1 RETROMETABOLIC COMPOUNDS CYTOPIA RESEARCH PTY LTD (AU) 2009-03-12 WO claimed
WO-2009029998-A1 RETROMETABOLIC COMPOUNDS CYTOPIA RESEARCH PTY LTD (AU) 2009-03-12 WO disclosed