SCHEMBL17451310

SCHEMBL17451310

N#CCC(C1CCCC1)n1cc(-c2ccnc(Nc3cccc(N(C(=O)O)C4CCOC4)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.43
▸ JAK1 P23458 9/20 0.43
▸ JAK3 P52333 7/20 0.43
▸ ABL1 P00519 4/20 0.43
▸ TYK2 P29597 4/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ STAT3 P40763 2/20 0.43
▸ KDR P35968 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ IKBKE Q14164 5/20 0.38
▸ TBK1 Q9UHD2 4/20 0.38
▸ DAPK3 O43293 2/20 0.38
▸ PAK4 O96013 2/20 0.38
▸ RET P07949 2/20 0.38
▸ LTK P29376 2/20 0.38
▸ CSNK1A1 P48729 2/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ TNK2 Q07912 2/20 0.38

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
SCHEMBL17451280 0.93 CCNE1 (0.49) JAK2JAK1JAK3ABL1TYK2
SCHEMBL14052891 0.87 JAK2 (0.42) JAK2JAK1JAK3ABL1TYK2
SCHEMBL15388952 0.86 JAK2 (0.49) JAK2JAK1JAK3ABL1TYK2
SCHEMBL17451314 0.83 ABL1 (0.53) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2357620 0.83 ABL1 (0.52) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2355597 0.82 JAK1 (0.44) JAK2JAK1JAK3ABL1TYK2
SCHEMBL4414332 0.82 JAK1 (0.44) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2356289 0.81 JAK2 (0.58) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2356221 0.81 CDK2 (0.49) JAK2JAK1JAK3ABL1TYK2
SCHEMBL3310920 0.81 JAK2 (0.52) JAK2JAK1JAK3ABL1TYK2

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
EP-2220068-B1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-27 — — EP claimed
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