SCHEMBL5813699

SCHEMBL5813699

CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
IDH1 O75874 1/20 0.42
IDH2 P48735 1/20 0.42
BRAF P15056 1/20 0.41
RIPK2 O43353 1/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCND3 P30281 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
CDK6 Q00534 1/20 0.40
DGAT1 O75907 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK9 P45984 1/20 0.39
CKS1B P61024 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
SCHEMBL5819222 0.97 SYK (0.45) SYKIDH1IDH2BRAFRIPK2
SCHEMBL5817754 0.96 SYK (0.44) SYKIDH1IDH2BRAFRIPK2
SCHEMBL5812799 0.91 BRAF (0.49) SYKIDH1IDH2BRAFRIPK2
SCHEMBL5818184 0.90 DGAT1 (0.42) SYKIDH1IDH2BRAFRIPK2
SCHEMBL5817789 0.90 DGAT1 (0.43) BRAFRIPK2CCNA2CDK2DGAT1
SCHEMBL5817880 0.88 BRAF (0.46) SYKBRAFRIPK2CCNA2CDK2
SCHEMBL5818376 0.88 BRAF (0.46) SYKBRAFRIPK2CCNA2CDK2
SCHEMBL5817960 0.87 MAPK14 (0.44) SYKBRAFRIPK2CCNA2CDK2
SCHEMBL5817801 0.87 SYK (0.45) SYKIDH1IDH2BRAFCCNA2
SCHEMBL5818908 0.87 MAPK14 (0.49) IDH2BRAFCCNA2CDK2CDK1

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