SCHEMBL13846209

SCHEMBL13846209

NCC(C1CCOCC1)n1cc(-c2ccnc(Nc3ccc(C(=O)NC4CCOCC4)cc3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ JAK2 O60674 13/20 0.46
▸ JAK3 P52333 9/20 0.46
▸ JAK1 P23458 7/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ NCOR1 O75376 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CDK1 P06493 1/20 0.45
▸ STK17A Q9UEE5 2/20 0.44
▸ BMPR1B O00238 1/20 0.43
▸ PLK4 O00444 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

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
SCHEMBL3706502 0.90 JAK2 (0.49) CDK2KCNH2JAK2JAK3JAK1
SCHEMBL3311268 0.89 JAK2 (0.50) CDK2KCNH2JAK2JAK3JAK1
SCHEMBL13846212 0.88 JAK2 (0.48) CDK2JAK2JAK3JAK1TYK2
SCHEMBL13846262 0.85 JAK2 (0.44) CDK2JAK2JAK3JAK1TYK2
SCHEMBL13846361 0.84 CDK1 (0.43) CDK2JAK2JAK3JAK1TYK2
SCHEMBL13846274 0.84 JAK2 (0.56) CDK2JAK2JAK3JAK1TYK2
SCHEMBL13846266 0.83 JAK2 (0.44) CDK2JAK2JAK3JAK1TYK2
SCHEMBL13595268 0.83 IKBKB (0.44) CDK2JAK2JAK3JAK1TYK2
SCHEMBL13846272 0.82 CDK1 (0.43) CDK2JAK2JAK3JAK1TYK2
SCHEMBL13846365 0.82 JAK2 (0.43) CDK2JAK2JAK3JAK1TYK2

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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