SCHEMBL16728877

SCHEMBL16728877

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 11/20 0.63
CSNK1D P48730 9/20 0.53
BTK Q06187 6/20 0.43
RIPK2 O43353 3/20 0.42
SRC P12931 1/20 0.36

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
SCHEMBL21131257 0.94 CSNK1E (0.56) CSNK1ECSNK1DBTKRIPK2
SCHEMBL16699603 0.86 CSNK1E (0.70) CSNK1ECSNK1DBTKRIPK2
SCHEMBL16709077 0.83 CSNK1E (0.67) CSNK1ECSNK1DBTKRIPK2
SCHEMBL16709075 0.83 CSNK1E (0.74) CSNK1ECSNK1D
SCHEMBL20748973 0.81 CSNK1E (0.58) CSNK1ECSNK1DBTKRIPK2
SCHEMBL16709076 0.80 CSNK1E (0.57) CSNK1ECSNK1DBTKRIPK2
SCHEMBL16700548 0.80 CSNK1E (0.63) CSNK1ECSNK1DBTKRIPK2
SCHEMBL16700458 0.79 CSNK1E (0.68) CSNK1ECSNK1D
SCHEMBL16711462 0.78 CSNK1E (0.67) CSNK1ECSNK1D
SCHEMBL20748857 0.78 CSNK1E (0.52) CSNK1ECSNK1D

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