SCHEMBL5815293

SCHEMBL5815293

Nc1nc(-c2cccc(Cl)c2)c(-c2ccnc(NC3CCCCC3)c2)s1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.58
TGFBR1 P36897 1/20 0.48
ADORA1 P30542 2/20 0.46
CDC7 O00311 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORB Q92753 1/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKD1 Q15139 2/20 0.39
PIM1 P11309 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 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
SCHEMBL1518734 0.88 MAPK14 (0.74) MAPK14KDM4EALDH1A1L3MBTL1
SCHEMBL1518847 0.87 MAPK14 (0.75) MAPK14KDM4EALDH1A1L3MBTL1
SCHEMBL5823314 0.86 MAPK14 (0.58) MAPK14ADORA1CDC7KDM4EALDH1A1
SCHEMBL3887345 0.85 MAPK14 (0.79) MAPK14
SCHEMBL3894081 0.84 MAPK14 (0.81) MAPK14
SCHEMBL5815500 0.83 TGFBR1 (0.54) TGFBR1ADORA1CDC7PIM1
SCHEMBL3901384 0.82 MAPK14 (0.54) MAPK14
SCHEMBL3891746 0.78 MAPK14 (0.56) MAPK14TGFBR1ADORA1KDM4EALDH1A1
SCHEMBL7102143 0.76 MAPK14 (0.74) MAPK14KDM4EALDH1A1L3MBTL1
SCHEMBL5815297 0.76 TGFBR1 (0.49) MAPK14TGFBR1ADORA1KDM4EALDH1A1

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
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed