SCHEMBL6579207

SCHEMBL6579207

CSc1nccc(-c2cccnc2-c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.53
CSNK1D P48730 2/20 0.53
JAK3 P52333 1/20 0.53
CSNK1E P49674 2/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CDK5 Q00535 2/20 0.52
CDK5R1 Q15078 2/20 0.52
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.39

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
SCHEMBL7982783 0.83 MAPK14 (0.50) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL21621304 0.81 L3MBTL1 (0.58) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL20498296 0.80 LMNA (0.49) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL29889744 0.80 LMNA (0.49) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL1554639 0.79 MAPK14 (0.54) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL6581932 0.79 MAPK14 (0.51) MAPK14CSNK1DCSNK1ECCNA2CDK2
SCHEMBL3576830 0.78 LMNA (0.50) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL4411071 0.78 CSNK1E (0.52) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL1554892 0.76 CSNK1E (0.50) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL7670525 0.76 MAPK14 (0.62) MAPK14CSNK1DJAK3CSNK1ECCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140083-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-01-02 EP claimed
US-6469018-B1 INHIBITING CYTOKINES AND THE TREATMENT OF A CYTOKINE MEDIATED DISEASE, BY ADMINISTRATION OF COMPOUNDS SUCH AS:2-(4-FLUOROPHENYL)-3-(2-METHYLTHIOPYRIMIDIN-4-YL)PYRIDINE SMITHKLINE BEECHAM CORPORATION 2002-10-22 US claimed
EP-1140083-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2001-10-10 EP claimed
WO-2000040243-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 WO claimed
EP-1140083-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-01-02 EP disclosed
US-6469018-B1 INHIBITING CYTOKINES AND THE TREATMENT OF A CYTOKINE MEDIATED DISEASE, BY ADMINISTRATION OF COMPOUNDS SUCH AS:2-(4-FLUOROPHENYL)-3-(2-METHYLTHIOPYRIMIDIN-4-YL)PYRIDINE SMITHKLINE BEECHAM CORPORATION 2002-10-22 US disclosed
EP-1140083-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000040243-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 WO disclosed