SCHEMBL17451307

SCHEMBL17451307

N#CCC(C1CCCC1)n1cc(-c2ccnc(Nc3ccc(NC(=O)O)cc3)n2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ JAK2 O60674 16/20 0.55
▸ JAK1 P23458 13/20 0.55
▸ JAK3 P52333 10/20 0.55
▸ TYK2 P29597 5/20 0.55
▸ ABL1 P00519 3/20 0.55
▸ GSK3B P49841 2/20 0.55
▸ AURKB Q96GD4 2/20 0.55
▸ STAT3 P40763 2/20 0.55
▸ KDR P35968 1/20 0.55
▸ DAPK3 O43293 2/20 0.46
▸ PAK4 O96013 2/20 0.46
▸ RET P07949 2/20 0.46
▸ LTK P29376 2/20 0.46
▸ CSNK1A1 P48729 2/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ TNK2 Q07912 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46

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
SCHEMBL3310525 0.93 CCNE1 (0.58) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3306077 0.92 CCNE1 (0.54) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL17451314 0.92 ABL1 (0.53) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3302295 0.92 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2356289 0.90 JAK2 (0.58) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2359386 0.89 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3311232 0.89 CCNE1 (0.52) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2359287 0.89 CCNE1 (0.52) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3310363 0.89 CDK2 (0.53) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3307521 0.89 CCNE1 (0.54) CCNE1CDK2JAK2JAK1JAK3

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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