SCHEMBL5817754

SCHEMBL5817754

CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CCCCC4)n3)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CDK1 P06493 2/20 0.43
CDK4 P11802 2/20 0.43
CCNB1 P14635 2/20 0.43
CCND1 P24385 2/20 0.43
CCND3 P30281 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
CDK6 Q00534 2/20 0.43
MAPK9 P45984 1/20 0.42
DGAT1 O75907 2/20 0.41
DYRK2 Q92630 1/20 0.40
IDH1 O75874 1/20 0.40
IDH2 P48735 1/20 0.40
ALOX5 P09917 1/20 0.39
RIPK2 O43353 1/20 0.39
BRAF P15056 1/20 0.39
MAPK13 O15264 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
SCHEMBL5819222 0.99 SYK (0.45) SYKCCNA2CDK2CDK1CDK4
SCHEMBL5813699 0.96 SYK (0.46) SYKCCNA2CDK2CDK1CDK4
SCHEMBL5818376 0.91 BRAF (0.46) SYKCCNA2CDK2CDK1CDK4
SCHEMBL5818666 0.91 MAPK14 (0.43) SYKCCNA2CDK2CDK1CDK4
SCHEMBL5817880 0.91 BRAF (0.46) SYKCCNA2CDK2CDK1CDK4
SCHEMBL5818760 0.90 DGAT1 (0.45) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL5817960 0.90 MAPK14 (0.44) SYKCCNA2CDK2CDK1CDK4
SCHEMBL5815348 0.89 DGAT1 (0.44) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL5813407 0.88 MAPK9 (0.48) SYKCCNA2CDK2CDK1CDK4
SCHEMBL5812799 0.88 BRAF (0.49) SYKCCNA2CDK2DGAT1DYRK2

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