SCHEMBL5820472

SCHEMBL5820472

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.49
ROCK2 O75116 1/20 0.40
MAPK14 Q16539 4/20 0.39
CDK2 P24941 3/20 0.38
MAPK1 P28482 3/20 0.38
CCNA2 P20248 2/20 0.38
MAPK3 P27361 2/20 0.38
RAF1 P04049 1/20 0.37
MAPK8 P45983 2/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
PRKD2 Q9BZL6 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
SCHEMBL5823170 0.90 CSNK1D (0.46) MAPK14CDK2MAPK1MAPK8PRKD3
SCHEMBL5819235 0.90 BRAF (0.51) BRAFCDK2CCNA2MAPK9
SCHEMBL5818628 0.89 BRAF (0.47) BRAFROCK2CDK2CCNA2
SCHEMBL5818779 0.86 MAPK9 (0.48) BRAFMAPK14CDK2CCNA2MAPK9
SCHEMBL5819127 0.86 BRAF (0.44) BRAFROCK2CDK2CCNA2RAF1
SCHEMBL5815121 0.86 BRAF (0.50) BRAFROCK2MAPK14MAPK1RAF1
SCHEMBL5819379 0.86 MAPK9 (0.48) BRAFCDK2CCNA2MAPK9
SCHEMBL5814974 0.83 BRAF (0.47) BRAFROCK2RAF1MAPK8MAPK9
SCHEMBL5814640 0.82 BRAF (0.47) BRAFMAPK14CDK2MAPK1RAF1
SCHEMBL5814884 0.80 SYK (0.40) BRAFMAPK14CDK2CCNA2MAPK9

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 1 patent. 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