SCHEMBL13846266

SCHEMBL13846266

N#CC1CCN(C(=O)c2ccc(Nc3nccc(-c4cnn(C(CN)C5CCOCC5)c4)n3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.44
▸ JAK3 P52333 10/20 0.44
▸ JAK1 P23458 8/20 0.44
▸ PLK4 O00444 2/20 0.43
▸ IKBKE Q14164 2/20 0.43
▸ TBK1 Q9UHD2 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ BMPR1B O00238 1/20 0.43
▸ CIT O14578 1/20 0.43
▸ GAK O14976 1/20 0.43
▸ OPA1 O60313 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ STK16 O75716 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ BMPR1A P36894 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43

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
SCHEMBL13846365 0.96 JAK2 (0.43) JAK2JAK3JAK1PLK4IKBKE
SCHEMBL13846296 0.96 SYK (0.42) JAK2JAK3JAK1TYK2ROCK2
SCHEMBL3719453 0.93 JAK2 (0.46) JAK2JAK3JAK1PLK4IKBKE
SCHEMBL13846212 0.92 JAK2 (0.48) JAK2JAK3JAK1PLK4IKBKE
SCHEMBL13846262 0.91 JAK2 (0.44) JAK2JAK3JAK1PLK4IKBKE
SCHEMBL3717901 0.90 JAK2 (0.45) JAK2JAK3JAK1PLK4IKBKE
SCHEMBL13595268 0.89 IKBKB (0.44) JAK2JAK3JAK1PLK4IKBKE
SCHEMBL13846361 0.89 CDK1 (0.43) JAK2JAK3JAK1PLK4IKBKE
SCHEMBL3715052 0.88 CDK2 (0.48) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL3711778 0.87 JAK2 (0.49) JAK2JAK3JAK1PLK4IKBKE

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-2009064835-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-05-22 — — WO disclosed
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