SCHEMBL4792360

SCHEMBL4792360

COc1cc(-c2nn(CCO)cc2-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)ccc1NC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.52
▸ BCR P11274 3/20 0.52
▸ ACVR1 Q04771 8/20 0.52
▸ MKNK2 Q9HBH9 1/20 0.45
▸ IGF1R P08069 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL4629353 0.92 ABL1 (0.54) ABL1BCRACVR1IGF1RJAK2
SCHEMBL5103282 0.92 ACVR1 (0.49) ABL1BCRACVR1MKNK2IGF1R
SCHEMBL5142460 0.90 ACVR1 (0.54) ABL1BCRACVR1MKNK2JAK2
SCHEMBL5103643 0.88 ABL1 (0.52) ABL1BCRACVR1MKNK2JAK2
SCHEMBL5103305 0.85 ABL1 (0.59) ABL1BCRACVR1JAK2JAK3
SCHEMBL5094758 0.84 ACVR1 (0.56) ABL1BCRACVR1JAK2JAK3
SCHEMBL4763982 0.84 ABL1 (0.51) ABL1BCRACVR1IGF1RJAK2
SCHEMBL4629853 0.84 ABL1 (0.55) ABL1BCRACVR1IGF1RJAK2
SCHEMBL5094740 0.84 ACVR1 (0.53) ABL1BCRACVR1IGF1RJAK2
SCHEMBL5090825 0.83 ABL1 (0.56) ABL1BCRACVR1IGF1RJAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917258-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-05-07 — — EP claimed
WO-2007024843-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 — — WO claimed
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