SCHEMBL5812781

SCHEMBL5812781

CSc1nccc(-c2sc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
MAPK14 Q16539 2/20 0.40
JAK3 P52333 2/20 0.40
CSNK1D P48730 1/20 0.40
ENPP2 Q13822 1/20 0.39
GPR119 Q8TDV5 6/20 0.39
MMP13 P45452 1/20 0.38
JAK2 O60674 1/20 0.38
PTK2 Q05397 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38

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
SCHEMBL5819178 0.88 EGFR (0.46) ENPP2
SCHEMBL5816188 0.86 CDK2 (0.44) GRIA1JAK3CSNK1DENPP2MMP13
SCHEMBL5817684 0.86 GPR119 (0.40) GRIA1MAPK14GPR119MMP13CACNB4
SCHEMBL5811639 0.86 PRKD3 (0.46) GRIA1MAPK14CSNK1DMMP13CDK2
SCHEMBL5813786 0.84 GRIA1 (0.47) GRIA1MAPK14JAK3CSNK1DENPP2
SCHEMBL6881409 0.79 MAPK14 (0.62) MAPK14CSNK1D
SCHEMBL8549534 0.78 MAPK14 (0.50) GRIA1MAPK14JAK3CSNK1DENPP2
SCHEMBL22712334 0.78 MAPK14 (0.47) GRIA1MAPK14JAK3GPR119JAK2
SCHEMBL5813486 0.77 EGFR (0.50) MAPK14
SCHEMBL31627464 0.76 GPR119 (0.52) GPR119

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