SCHEMBL5819182

SCHEMBL5819182

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.57
▸ CCNA2 P20248 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ CSNK1E P49674 1/20 0.55
▸ CDK5 Q00535 1/20 0.55
▸ CDK5R1 Q15078 1/20 0.55
▸ MAPK14 Q16539 5/20 0.54
▸ CSNK1D P48730 2/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ KCNH2 Q12809 1/20 0.48
▸ EGFR P00533 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MYC P01106 1/20 0.43
▸ WDR5 P61964 1/20 0.43

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
SCHEMBL5779376 0.87 ALDH1A1 (0.55) TGFBR1CSNK1EMAPK14KDM4EMAPK1
SCHEMBL5819641 0.86 TGFBR1 (0.45) TGFBR1CCNA2CDK2CSNK1ECDK5
SCHEMBL5815379 0.85 MYC (0.47) TGFBR1CCNA2CDK2CSNK1ECDK5
SCHEMBL5818985 0.85 CCNA2 (0.50) TGFBR1CCNA2CDK2CSNK1ECDK5
SCHEMBL5814386 0.85 MAPK14 (0.50) TGFBR1CCNA2CDK2CSNK1ECDK5
SCHEMBL30410193 0.82 TGFBR1 (0.62) TGFBR1KCNH2EGFRKDM4EMAPK1
SCHEMBL29039431 0.82 TGFBR1 (0.62) TGFBR1KCNH2EGFRKDM4EMAPK1
SCHEMBL5815955 0.81 TGFBR1 (0.56) TGFBR1CCNA2CDK2CSNK1ECDK5
SCHEMBL5818242 0.80 MAPK14 (0.47) TGFBR1MAPK14KDM4EMAPK1NPSR1
SCHEMBL5817322 0.80 MAPK14 (0.52) CCNA2CDK2CSNK1ECDK5CDK5R1

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
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