SCHEMBL13846272

SCHEMBL13846272

CO[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
▸ CDK1 P06493 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ CCNK O75909 4/20 0.43
▸ CDK12 Q9NYV4 4/20 0.43
▸ JAK2 O60674 7/20 0.41
▸ IKBKB O14920 4/20 0.41
▸ CHUK O15111 4/20 0.41
▸ IKBKG Q9Y6K9 4/20 0.41
▸ JAK3 P52333 5/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ ACVR1 Q04771 2/20 0.40
▸ MYLK4 Q86YV6 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ AAK1 Q2M2I8 2/20 0.39
▸ BMP2K Q9NSY1 2/20 0.39
▸ BMPR1B O00238 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CIT O14578 1/20 0.39

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
SCHEMBL13595268 0.96 IKBKB (0.44) CDK1CDK2CCNKCDK12JAK2
SCHEMBL3709533 0.91 JAK2 (0.45) CDK1CDK2CCNKCDK12JAK2
SCHEMBL13846361 0.90 CDK1 (0.43) CDK1CDK2CCNKCDK12JAK2
SCHEMBL13846212 0.89 JAK2 (0.48) CDK1CDK2JAK2IKBKBCHUK
SCHEMBL13846262 0.89 JAK2 (0.44) CDK1CDK2JAK2IKBKBCHUK
SCHEMBL13846365 0.88 JAK2 (0.43) CDK1CDK2CCNKCDK12JAK2
SCHEMBL3712190 0.87 JAK2 (0.46) CDK2JAK2IKBKBCHUKIKBKG
SCHEMBL4410888 0.87 CDK2 (0.47) CDK1CDK2CCNKCDK12JAK2
SCHEMBL2358965 0.87 CDK2 (0.47) CDK1CDK2CCNKCDK12JAK2
SCHEMBL13846266 0.86 JAK2 (0.44) CDK2JAK2IKBKBCHUKIKBKG

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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