SCHEMBL13846365

SCHEMBL13846365

N#C[C@H]1CCN(C(=O)c2ccc(Nc3nccc(-c4cnn(C(CN)C5CCOCC5)c4)n3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.43
▸ JAK3 P52333 11/20 0.43
▸ JAK1 P23458 9/20 0.43
▸ CDK2 P24941 3/20 0.42
▸ IKBKE Q14164 2/20 0.42
▸ TBK1 Q9UHD2 2/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ BMPR1B O00238 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CIT O14578 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ OPA1 O60313 1/20 0.42
▸ STK16 O75716 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ MARK3 P27448 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ BMPR1A P36894 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42

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
SCHEMBL13846266 0.96 JAK2 (0.44) JAK2JAK3JAK1CDK2IKBKE
SCHEMBL3717901 0.94 JAK2 (0.45) JAK2JAK3JAK1CDK2IKBKE
SCHEMBL13846296 0.92 SYK (0.42) JAK2JAK3JAK1CDK2ROCK2
SCHEMBL3719453 0.90 JAK2 (0.46) JAK2JAK3JAK1CDK2IKBKE
SCHEMBL13846361 0.90 CDK1 (0.43) JAK2JAK3JAK1CDK2IKBKE
SCHEMBL3306129 0.89 CDK2 (0.47) JAK2JAK3JAK1CDK2ROCK2
SCHEMBL13846212 0.89 JAK2 (0.48) JAK2JAK3JAK1CDK2IKBKE
SCHEMBL13846262 0.89 JAK2 (0.44) JAK2JAK3JAK1CDK2IKBKE
SCHEMBL13846272 0.88 CDK1 (0.43) JAK2JAK3JAK1CDK2IKBKE
SCHEMBL3310409 0.87 CDK2 (0.51) JAK2JAK3JAK1CDK2IKBKE

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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