SCHEMBL5819641

SCHEMBL5819641

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.45
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRAF P15056 3/20 0.42
CDK2 P24941 2/20 0.41
CCNA2 P20248 1/20 0.41
CSNK1E P49674 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK14 Q16539 3/20 0.41
LHCGR P22888 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40

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
SCHEMBL5818242 0.87 MAPK14 (0.47) TGFBR1KDM4EMAPK1NPSR1L3MBTL1
SCHEMBL5819505 0.86 LMNA (0.45) TGFBR1KDM4EMAPK1NPSR1L3MBTL1
SCHEMBL5812178 0.86 TGFBR1 (0.61) TGFBR1KDM4EMAPK1NPSR1L3MBTL1
SCHEMBL5819182 0.86 TGFBR1 (0.57) TGFBR1KDM4EMAPK1NPSR1L3MBTL1
SCHEMBL5817815 0.86 MAPK14 (0.44) TGFBR1KDM4EMAPK1NPSR1L3MBTL1
SCHEMBL5779376 0.86 ALDH1A1 (0.55) TGFBR1KDM4EMAPK1NPSR1L3MBTL1
SCHEMBL3054100 0.82 CCNA2 (0.47) KDM4ECDK2CCNA2CSNK1ECDK5
SCHEMBL1641146 0.82 MYC (0.52) TGFBR1KDM4EMAPK1NPSR1L3MBTL1
SCHEMBL5818427 0.81 KDM4E (0.42) KDM4EMAPK1NPSR1L3MBTL1CDK2
SCHEMBL5817054 0.80 KCNH2 (0.44) KDM4EMAPK1NPSR1L3MBTL1BRAF

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