SCHEMBL5817815

SCHEMBL5817815

CSc1nccc(-c2sc(N)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.44
RORB Q92753 6/20 0.44
TGFBR1 P36897 3/20 0.43
LMNA P02545 1/20 0.42
KMO O15229 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK1 Q13464 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
MAPK13 O15264 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 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
SCHEMBL5812149 0.87 MAPK14 (0.44) MAPK14RORBLMNAKMOKDM4E
SCHEMBL5819641 0.86 TGFBR1 (0.45) MAPK14TGFBR1LMNAKDM4EMAPK1
SCHEMBL5818242 0.84 MAPK14 (0.47) MAPK14TGFBR1LMNAKDM4EMAPK1
SCHEMBL5812178 0.84 TGFBR1 (0.61) MAPK14RORBTGFBR1LMNAKMO
SCHEMBL5779376 0.83 ALDH1A1 (0.55) MAPK14TGFBR1LMNAKDM4EMAPK1
SCHEMBL5813593 0.83 MAPK14 (0.46) MAPK14RORBLMNAKMOKDM4E
SCHEMBL5819341 0.81 MAPK14 (0.43) MAPK14LMNAKMOKDM4EMAPK1
SCHEMBL11467792 0.81 LMNA (0.58) MAPK14LMNAKMOKDM4EL3MBTL1
SCHEMBL7676136 0.81 MAPK14 (0.50) MAPK14LMNAKMOADORA2AADORA1
SCHEMBL5818759 0.80 MAPK14 (0.45) MAPK14LMNAMAPK13MAPK9MAPK12

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