SCHEMBL17451280

SCHEMBL17451280

N#CCC(C1CCCC1)n1cc(-c2ccnc(Nc3ccc(N(C(=O)O)C4CCOC4)cc3)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ JAK2 O60674 16/20 0.46
▸ JAK1 P23458 13/20 0.46
▸ JAK3 P52333 11/20 0.46
▸ TYK2 P29597 4/20 0.46
▸ ABL1 P00519 3/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ STAT3 P40763 2/20 0.46
▸ KDR P35968 1/20 0.46
▸ IKBKE Q14164 3/20 0.40
▸ DAPK3 O43293 2/20 0.40
▸ PAK4 O96013 2/20 0.40
▸ RET P07949 2/20 0.40
▸ LTK P29376 2/20 0.40
▸ CSNK1A1 P48729 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ TNK2 Q07912 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40

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
SCHEMBL17451310 0.93 JAK2 (0.43) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL14052891 0.89 JAK2 (0.42) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2357666 0.85 CDK2 (0.51) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3310338 0.84 CDK2 (0.50) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3302295 0.84 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL17451307 0.84 CCNE1 (0.58) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL4410398 0.83 CCNE1 (0.49) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2358705 0.83 CCNE1 (0.49) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3710981 0.83 CDK2 (0.49) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2356289 0.82 JAK2 (0.58) 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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