SCHEMBL5815367

SCHEMBL5815367

Cc1cccc(-c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2-c2ccnc(NCCc3ccccc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.45
ACHE P22303 3/20 0.45
BRAF P15056 4/20 0.42
SLC2A1 P11166 1/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CCNA1 P78396 1/20 0.40
RAF1 P04049 2/20 0.40
PPARG P37231 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 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
SCHEMBL5812762 0.88 SLC2A1 (0.48) ACHEBRAFSLC2A1CKS1BSKP1
SCHEMBL5813728 0.88 MAPK14 (0.44) MAPK14ACHEBRAFSLC2A1CCNT1
SCHEMBL5818184 0.85 DGAT1 (0.42) MAPK14ACHEBRAFCKS1BSKP1
SCHEMBL5817960 0.84 MAPK14 (0.44) MAPK14BRAFCKS1BSKP1SKP2
SCHEMBL5818666 0.83 MAPK14 (0.43) MAPK14BRAFCKS1BSKP1SKP2
SCHEMBL5815365 0.81 CKS1B (0.44) MAPK14ACHEBRAFCKS1BSKP1
Cyclopentane SCHEMBL5821724 0.81 CKS1B (0.42) MAPK14ACHECKS1BSKP1SKP2
SCHEMBL5818651 0.81 CKS1B (0.42) MAPK14ACHECKS1BSKP1SKP2
SCHEMBL5818618 0.80 CKS1B (0.41) MAPK14ACHECKS1BSKP1SKP2
SCHEMBL5819126 0.80 CCNT1 (0.43) MAPK14ACHEBRAFSLC2A1CKS1B

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