SCHEMBL5813593

SCHEMBL5813593

CSc1nccc(-c2scnc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
LMNA P02545 1/20 0.43
KMO O15229 1/20 0.42
RORB Q92753 2/20 0.41
RORC P51449 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ADORA2A P29274 2/20 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
SCHEMBL5818427 0.85 KDM4E (0.42) MAPK14LMNAKMOKDM4EMAPK1
SCHEMBL5813444 0.84 KDM4E (0.42) MAPK14LMNAKMOKDM4EMAPK1
SCHEMBL11467792 0.83 LMNA (0.58) MAPK14LMNAKMOKDM4EL3MBTL1
SCHEMBL1641735 0.83 L3MBTL1 (0.42) MAPK14LMNAKDM4EMAPK1NPSR1
SCHEMBL5818860 0.83 LMNA (0.44) MAPK14LMNAKMORORBKDM4E
SCHEMBL5812149 0.83 MAPK14 (0.44) MAPK14LMNAKMORORBKDM4E
SCHEMBL5817815 0.83 MAPK14 (0.44) MAPK14LMNAKMORORBKDM4E
SCHEMBL7676136 0.82 MAPK14 (0.50) MAPK14LMNAKMODYRK3CCNT1
SCHEMBL6260027 0.82 KDM4E (0.52) MAPK14LMNAKDM4EMAPK1NPSR1
SCHEMBL5815206 0.81 KMO (0.41) MAPK14KMORORBRORCADORA2A

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