SCHEMBL13846274

SCHEMBL13846274

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 17/20 0.56
▸ JAK3 P52333 7/20 0.51
▸ JAK1 P23458 3/20 0.49
▸ TYK2 P29597 2/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ NCOR1 O75376 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ PDGFRB P09619 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ IKBKB O14920 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ KDR P35968 1/20 0.48

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
SCHEMBL3709983 0.89 JAK2 (0.56) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2356388 0.87 JAK2 (0.58) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL13846212 0.87 JAK2 (0.48) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL2358356 0.85 JAK2 (0.55) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2358412 0.85 JAK2 (0.55) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL13846209 0.84 CDK2 (0.48) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL13846262 0.83 JAK2 (0.44) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL2358315 0.83 JAK2 (0.55) JAK2JAK3JAK1TYK2HDAC1
Hydrochloric Acid SCHEMBL4410217 0.82 JAK2 (0.54) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL13846361 0.82 CDK1 (0.43) JAK2JAK3JAK1TYK2HDAC3

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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