SCHEMBL2945196

SCHEMBL2945196

CCCCCn1c(=O)ccc2c(-c3ccccc3Cl)nc(N(C)C3CCNCC3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.42
MAPK13 O15264 6/20 0.42
MAPK12 P53778 6/20 0.42
MAPK11 Q15759 6/20 0.42
EPHB4 P54760 1/20 0.35
CHEK1 O14757 1/20 0.34
WEE1 P30291 1/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
FGFR1 P11362 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL2945192 0.83 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NMT1
SCHEMBL5253302 0.82 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11CHRNB2
SCHEMBL5253286 0.76 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11EPHB4
SCHEMBL5255371 0.76 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11EPHB4
SCHEMBL2941239 0.72 FGFR1 (0.42) MAPK14CHEK1WEE1CCNB2CCNE2
SCHEMBL2944615 0.72 SIK1 (0.43) MAPK14MAPK13MAPK12MAPK11EPHB4
SCHEMBL2945023 0.72 FGFR2 (0.42) WEE1CCNB2CCNE2CDK1FGFR1
SCHEMBL1726714 0.71 CDK1 (0.41) MAPK14MAPK13MAPK12MAPK11EPHB4
SCHEMBL7505510 0.71 CDK4 (0.48) CCNB2CCNE2CDK1FGFR1CDK4
SCHEMBL5253164 0.69 TDP1 (0.41) CCNB2CCNE2CDK1FGFR1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4524072-B2 2010-08-11 JP claimed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP claimed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP claimed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 WO claimed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP disclosed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP disclosed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 WO disclosed