SCHEMBL13846212

SCHEMBL13846212

NCC(C1CCOCC1)n1cc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.48
▸ PLK4 O00444 2/20 0.47
▸ JAK3 P52333 9/20 0.46
▸ JAK1 P23458 4/20 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
▸ BTK Q06187 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ CDK2 P24941 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

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
SCHEMBL13846262 0.95 JAK2 (0.44) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13595268 0.92 IKBKB (0.44) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846266 0.92 JAK2 (0.44) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846361 0.92 CDK1 (0.43) JAK2PLK4JAK3JAK1TYK2
SCHEMBL3711778 0.90 JAK2 (0.49) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846365 0.89 JAK2 (0.43) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846272 0.89 CDK1 (0.43) JAK2PLK4JAK3JAK1TYK2
SCHEMBL3307295 0.88 JAK2 (0.51) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846209 0.88 CDK2 (0.48) JAK2PLK4JAK3JAK1TYK2
SCHEMBL13846274 0.87 JAK2 (0.56) JAK2PLK4JAK3JAK1TYK2

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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