SCHEMBL5817801

SCHEMBL5817801

CC(C)(C)OC(=O)N1CCC(O)(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.45
MAPK9 P45984 2/20 0.45
IDH1 O75874 2/20 0.43
IDH2 P48735 1/20 0.43
BRAF P15056 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
RPS6KA3 P51812 1/20 0.40
DYRK2 Q92630 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 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
SCHEMBL5818809 0.97 MAPK9 (0.48) SYKMAPK9IDH1IDH2BRAF
SCHEMBL5813407 0.97 MAPK9 (0.48) SYKMAPK9IDH1IDH2BRAF
SCHEMBL5818628 0.92 BRAF (0.47) SYKIDH1IDH2BRAFDYRK2
SCHEMBL5814884 0.91 SYK (0.40) SYKMAPK9IDH1IDH2BRAF
SCHEMBL5816946 0.90 HDAC8 (0.40) SYKIDH1IDH2BRAFDYRK2
SCHEMBL5819127 0.89 BRAF (0.44) SYKMAPK9IDH1IDH2BRAF
SCHEMBL5819839 0.88 MAPK14 (0.42) SYKMAPK9IDH1IDH2BRAF
SCHEMBL5813665 0.88 MAPK9 (0.57) MAPK9IDH2BRAFCSNK1A1CSNK1D
SCHEMBL5818643 0.88 MAPK14 (0.41) SYKMAPK9IDH1IDH2BRAF
SCHEMBL5813655 0.88 DYRK2 (0.40) MAPK9IDH1IDH2BRAFDYRK2

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