SCHEMBL5817322

SCHEMBL5817322

CSc1nccc(-c2scnc2-c2ccc(F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.52
CSNK1D P48730 3/20 0.52
JAK3 P52333 1/20 0.52
CSNK1E P49674 2/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL6260027 0.86 KDM4E (0.52) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5818427 0.85 KDM4E (0.42) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5815370 0.85 POLB (0.40) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL21621304 0.80 L3MBTL1 (0.58) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5819182 0.80 TGFBR1 (0.57) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5814386 0.80 MAPK14 (0.50) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5813449 0.80 KDM4E (0.41) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL5813444 0.79 KDM4E (0.42) MAPK14CSNK1EMAPK13MAPK12MAPK11
SCHEMBL5818985 0.78 CCNA2 (0.50) MAPK14CSNK1DJAK3CSNK1ECCNA2
SCHEMBL1641735 0.78 L3MBTL1 (0.42) MAPK14CSNK1ECCNA2CDK2CDK5

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