SCHEMBL16730741

SCHEMBL16730741

Cc1ccc(S(=O)(=O)OCC2(CO)CN(C(=O)OC(C)(C)C)Cc3c(C(N)=O)c(-c4ccc(F)c(Cl)c4)nn32)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 16/20 0.39
CSNK1D P48730 13/20 0.36
CTSS P25774 2/20 0.34
RIPK2 O43353 1/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32

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
SCHEMBL16709112 0.96 CSNK1E (0.40) CSNK1ECSNK1DCTSSRIPK2
SCHEMBL16709115 0.91 CSNK1E (0.37) CSNK1ECSNK1DCTSS
SCHEMBL16709113 0.89 CSNK1E (0.44) CSNK1ECSNK1DRIPK2
SCHEMBL16699346 0.88 CSNK1E (0.39) CSNK1ECSNK1D
SCHEMBL16709129 0.85 CSNK1E (0.44) CSNK1ECSNK1DRIPK2
SCHEMBL16700632 0.83 CSNK1E (0.36) CSNK1ECSNK1D
SCHEMBL16700635 0.83 CSNK1E (0.36) CSNK1ECSNK1D
SCHEMBL16700636 0.83 CSNK1E (0.36) CSNK1ECSNK1DTGFBR1TGFBR2
SCHEMBL16709109 0.82 MEN1 (0.35) CSNK1ECSNK1D
SCHEMBL16709123 0.80 KAT5 (0.35)

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-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed