SCHEMBL16730587

SCHEMBL16730587

CCc1ccc(-c2nn3c(c2C(N)=O)CNCC3)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.50
TLR8 Q9NR97 2/20 0.50
TLR7 Q9NYK1 2/20 0.50
CSNK1E P49674 14/20 0.41
CSNK1D P48730 9/20 0.41
RIPK2 O43353 4/20 0.40
LCK P06239 3/20 0.39
KDR P35968 3/20 0.39
TGFBR1 P36897 3/20 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
SCHEMBL16722719 0.88 TLR9 (0.54) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16700106 0.88 TLR9 (0.51) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16699578 0.85 TLR9 (0.49) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16722751 0.82 TLR9 (0.47) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16722633 0.81 TLR9 (0.45) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16699002 0.81 CSNK1E (0.52) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16722700 0.80 TLR9 (0.46) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16722695 0.79 CSNK1E (0.57) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16728803 0.79 TLR9 (0.46) TLR9TLR8TLR7CSNK1ECSNK1D
SCHEMBL16722416 0.79 TLR9 (0.54) TLR9TLR8TLR7CSNK1ECSNK1D

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