Cyclopentane

Cyclopentane

SCHEMBL5821724

C1CCCC1.Cc1cccc(-c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2-c2ccnc([AsH2])n2)c1

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
GPR119 Q8TDV5 1/20 0.39
MAPK14 Q16539 4/20 0.39
KIT P10721 2/20 0.38
GBA1 P04062 1/20 0.38
ACHE P22303 2/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
FAAH O00519 1/20 0.37
RIPK2 O43353 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
CA9 Q16790 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL5818651 0.87 CKS1B (0.42) CKS1BSKP1SKP2GPR119MAPK14
SCHEMBL5818666 0.86 MAPK14 (0.43) CKS1BSKP1SKP2GPR119MAPK14
Cyclohexane SCHEMBL5820492 0.86 GRIA1 (0.47) CKS1BSKP1SKP2GPR119LRRK2
SCHEMBL5818618 0.86 CKS1B (0.41) CKS1BSKP1SKP2GPR119MAPK14
SCHEMBL5817960 0.85 MAPK14 (0.44) CKS1BSKP1SKP2GPR119MAPK14
SCHEMBL5818184 0.85 DGAT1 (0.42) CKS1BSKP1SKP2GPR119MAPK14
Cyclopropane SCHEMBL5824104 0.85 SYK (0.40) CKS1BSKP1SKP2GPR119MAPK14
SCHEMBL5821721 0.85 GPR119 (0.40) CKS1BSKP1SKP2GPR119MAPK14
SCHEMBL5815365 0.83 CKS1B (0.44) CKS1BSKP1SKP2MAPK14KIT
SCHEMBL5815367 0.81 MAPK14 (0.45) CKS1BSKP1SKP2MAPK14KIT

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 1 patent. 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 disclosed