SCHEMBL5812889

SCHEMBL5812889

COc1ccc(-c2nc(C3(O)CCNCC3)sc2-c2ccnc(NC3CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
MKNK1 Q9BUB5 2/20 0.42
BRD4 O60885 1/20 0.40
KCNH2 Q12809 5/20 0.40
EIF2AK2 P19525 1/20 0.40
ACHE P22303 1/20 0.39
MAPK6 Q16659 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL5813645 0.97 EIF2AK2 (0.44) IKBKBMKNK1BRD4KCNH2EIF2AK2
SCHEMBL5817804 0.96 EIF2AK2 (0.43) IKBKBMKNK1BRD4KCNH2EIF2AK2
SCHEMBL5818981 0.89 IKBKB (0.45) IKBKBKCNH2ACHE
SCHEMBL5814867 0.88 KCNH2 (0.51) KCNH2ACHE
SCHEMBL5818988 0.85 MKNK1 (0.41) IKBKBMKNK1BRD4KCNH2EIF2AK2
SCHEMBL5819371 0.85 IKBKB (0.43) IKBKBEIF2AK2ACHE
SCHEMBL5818906 0.85 MAPK8 (0.51) KCNH2ACHE
SCHEMBL5819019 0.85 HTR6 (0.43) IKBKBEIF2AK2ACHE
SCHEMBL5818791 0.83 BRAF (0.43) IKBKBMKNK1KCNH2ACHE
SCHEMBL5814237 0.82 ALDH1A1 (0.45)

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