SCHEMBL16728619

SCHEMBL16728619

CC(C)C1CN(C(=O)Nc2ccc(C=N)cc2)Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 19/20 0.63
CSNK1D P48730 14/20 0.62
BTK Q06187 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
SCHEMBL18171244 0.88 CSNK1E (0.79) CSNK1ECSNK1DBTK
SCHEMBL16709078 0.85 CSNK1E (0.59) CSNK1ECSNK1D
SCHEMBL16700890 0.83 CSNK1E (0.53) CSNK1ECSNK1DBTK
SCHEMBL18171191 0.83 CSNK1E (0.78) CSNK1ECSNK1DBTK
SCHEMBL18171187 0.83 CSNK1E (0.78) CSNK1ECSNK1DBTK
SCHEMBL16700042 0.82 CSNK1E (0.53) CSNK1ECSNK1D
SCHEMBL20748917 0.81 CSNK1E (0.60) CSNK1ECSNK1DBTK
SCHEMBL16709079 0.80 CSNK1E (0.53) CSNK1ECSNK1DBTK
SCHEMBL16728607 0.80 CSNK1E (0.65) CSNK1ECSNK1DBTK
SCHEMBL18171189 0.80 CSNK1E (0.65) CSNK1ECSNK1DBTK

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-2015073767-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