SCHEMBL5818985

SCHEMBL5818985

CSc1nccc(-c2sc(CN)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CSNK1E P49674 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MAPK14 Q16539 7/20 0.49
CSNK1D P48730 2/20 0.48
JAK3 P52333 1/20 0.48
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
TGFBR1 P36897 1/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 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
SCHEMBL5819182 0.85 TGFBR1 (0.57) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL5814386 0.83 MAPK14 (0.50) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL5817233 0.80 TGFBR1 (0.46) CDK2CSNK1EMAPK14MAPK13MAPK12
SCHEMBL5822172 0.79 PTGS2 (0.41) MAPK14TGFBR1PTGS2PTGS1
SCHEMBL5817322 0.78 MAPK14 (0.52) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL5819248 0.77 KCNH2 (0.55) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL21621304 0.76 L3MBTL1 (0.58) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL5819253 0.75 KCNH2 (0.64)
SCHEMBL5817956 0.75 KCNH2 (0.61) CCNA2CDK2CSNK1ECDK5CDK5R1
SCHEMBL5815508 0.74 KCNH2 (0.59)

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