SCHEMBL5818643

SCHEMBL5818643

Cc1cccc(-c2nc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)sc2-c2ccnc(NC3CCCCC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
MAPK9 P45984 1/20 0.40
DYRK2 Q92630 2/20 0.40
SYK P43405 3/20 0.39
IDH1 O75874 1/20 0.38
IDH2 P48735 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT1 O75907 1/20 0.38
BRAF P15056 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNA2 P20248 2/20 0.37
CCND1 P24385 2/20 0.37
CDK2 P24941 2/20 0.37
CCND3 P30281 2/20 0.37

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
SCHEMBL5819839 0.99 MAPK14 (0.42) MAPK14MAPK9DYRK2SYKIDH1
SCHEMBL5814884 0.96 SYK (0.40) MAPK14MAPK9DYRK2SYKIDH1
SCHEMBL5819091 0.92 DGAT1 (0.40) MAPK9DYRK2IDH1IDH2DGAT1
SCHEMBL5819127 0.92 BRAF (0.44) MAPK9DYRK2SYKIDH1IDH2
SCHEMBL5813655 0.92 DYRK2 (0.40) MAPK9DYRK2IDH1IDH2DGAT1
SCHEMBL5813407 0.91 MAPK9 (0.48) MAPK14MAPK9DYRK2SYKIDH1
SCHEMBL5818809 0.90 MAPK9 (0.48) MAPK14MAPK9DYRK2SYKIDH1
SCHEMBL5818628 0.89 BRAF (0.47) DYRK2SYKIDH1IDH2BRAF
SCHEMBL5816946 0.89 HDAC8 (0.40) DYRK2SYKIDH1IDH2DGAT1
SCHEMBL5818721 0.88 DYRK2 (0.43) MAPK14MAPK9DYRK2SYKBRAF

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