SCHEMBL17451332

SCHEMBL17451332

Cc1cnc(Nc2ccc(NC(=O)O)cc2)nc1-c1cnn(C(CC#N)C2CCCC2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.78
▸ CDK2 P24941 1/20 0.78
▸ JAK2 O60674 17/20 0.76
▸ JAK1 P23458 12/20 0.76
▸ TYK2 P29597 11/20 0.76
▸ JAK3 P52333 10/20 0.76
▸ ABL1 P00519 3/20 0.76
▸ GSK3B P49841 2/20 0.76
▸ AURKB Q96GD4 2/20 0.76
▸ STAT3 P40763 2/20 0.76
▸ KDR P35968 1/20 0.76
▸ FLT3 P36888 7/20 0.53
▸ DAPK3 O43293 2/20 0.49
▸ PAK4 O96013 2/20 0.49
▸ RET P07949 2/20 0.49
▸ LTK P29376 2/20 0.49
▸ CSNK1A1 P48729 2/20 0.49
▸ CLK2 P49760 2/20 0.49
▸ TNK2 Q07912 2/20 0.49
▸ ROCK1 Q13464 2/20 0.49

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
SCHEMBL4409456 0.94 CCNE1 (0.77) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL2358701 0.93 CCNE1 (0.75) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL2358140 0.93 CCNE1 (0.77) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL15388851 0.91 CCNE1 (0.71) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL2356232 0.91 JAK2 (0.82) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL15388848 0.91 CCNE1 (0.74) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL3302134 0.90 CCNE1 (0.76) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL3309993 0.90 CCNE1 (0.71) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL2359390 0.90 CCNE1 (0.75) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL2358683 0.89 JAK2 (0.79) CCNE1CDK2JAK2JAK1TYK2

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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