SCHEMBL3817565

SCHEMBL3817565

Cc1ncc(C(=O)NCc2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.53
KDR P35968 1/20 0.53
PLK1 P53350 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
PPARA Q07869 1/20 0.53
KLKB1 P03952 1/20 0.53
HCAR2 Q8TDS4 1/20 0.51
HPGDS O60760 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
MMP13 P45452 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ESRRG P62508 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL11650826 0.84 HPGD (0.55) CSNK2A2KDRPLK1CSNK2BCSNK2A1
SCHEMBL12788248 0.82 PPARA (0.69) CSNK2A2KDRCSNK2BCSNK2A1PPARA
SCHEMBL24498387 0.80 HPGDS (0.49) CSNK2A2KDRPLK1CSNK2BCSNK2A1
SCHEMBL12590942 0.80 PPARA (0.48) CSNK2A2KDRPLK1CSNK2BCSNK2A1
SCHEMBL6329947 0.79 MAPK14 (0.60) PPARAHPGDSHDAC3HDAC4HDAC1
SCHEMBL5545082 0.78 HCAR2 (0.58) HCAR2L3MBTL1RAB9A
SCHEMBL1657000 0.78 GRM5 (0.54) CSNK2A2KDRPLK1CSNK2BCSNK2A1
SCHEMBL3584763 0.78 KDR (0.57) KDRHPGDSHPGDGLAL3MBTL1
SCHEMBL12124467 0.78 L3MBTL1 (0.56) CSNK2A2KDRPLK1CSNK2BCSNK2A1
SCHEMBL11925386 0.77 PTPN1 (0.59) HCAR2HPGDESRRGLMNARAB9A

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-2086970-A2 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008024390-A2 2- (PYRAZIN-2-YL) -THIAZOLE AND 2- (1H-PYRAZ0L-3-YL) -THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2008-02-28 WO disclosed