SCHEMBL13846262

SCHEMBL13846262

NCC(C1CCOCC1)n1cc(-c2ccnc(Nc3ccc(C(=O)N4CCC(O)CC4)cc3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.44
▸ IKBKB O14920 6/20 0.43
▸ CHUK O15111 6/20 0.43
▸ IKBKG Q9Y6K9 6/20 0.43
▸ PLK4 O00444 2/20 0.42
▸ JAK3 P52333 7/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ NCOR1 O75376 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MTOR P42345 1/20 0.41
▸ SMG1 Q96Q15 1/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL13846361 0.96 CDK1 (0.43) JAK2IKBKBCHUKIKBKGPLK4
SCHEMBL13846212 0.95 JAK2 (0.48) JAK2IKBKBCHUKIKBKGPLK4
SCHEMBL13595268 0.91 IKBKB (0.44) JAK2IKBKBCHUKIKBKGPLK4
SCHEMBL13846266 0.91 JAK2 (0.44) JAK2IKBKBCHUKIKBKGPLK4
SCHEMBL3719159 0.91 JAK2 (0.46) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846365 0.89 JAK2 (0.43) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846272 0.89 CDK1 (0.43) JAK2IKBKBCHUKIKBKGPLK4
SCHEMBL3709989 0.86 JAK2 (0.45) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846296 0.86 SYK (0.42) JAK2IKBKBCHUKIKBKGJAK3
SCHEMBL3313253 0.85 CDK2 (0.48) JAK2IKBKBCHUKIKBKGJAK3

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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