SCHEMBL20748895

SCHEMBL20748895

Cc1nn2c(c1C(N)=O)CNCC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CSNK1D P48730 3/20 0.32
ACVR1 Q04771 2/20 0.31
TGFBR1 P36897 1/20 0.31
NTRK1 P04629 2/20 0.30
PIM1 P11309 2/20 0.30
CSNK1E P49674 2/20 0.30

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
SCHEMBL28792087 0.86 PLAT (0.35) TLR9TLR8TLR7HTR2AHTR2C
SCHEMBL20691669 0.82 MAPK1 (0.37) TLR9TLR8TLR7
SCHEMBL16722727 0.81 TLR9 (0.38) TLR9TLR8TLR7HTR2AHTR2C
SCHEMBL21131230 0.80 PDE4D (0.42)
SCHEMBL26943913 0.74 PDCD1 (0.35) HTR2AHTR2C
SCHEMBL16728716 0.74 CSNK1D (0.48) TLR9TLR8TLR7CSNK1DCSNK1E
SCHEMBL16722719 0.74 TLR9 (0.54) TLR9TLR8TLR7CSNK1DACVR1
SCHEMBL16722760 0.74 CSNK1E (0.50) TLR9TLR8TLR7CSNK1DCSNK1E
SCHEMBL16722416 0.73 TLR9 (0.54) TLR9TLR8TLR7CSNK1DCSNK1E
SCHEMBL16708792 0.73 CSNK1E (0.54) TLR9TLR8TLR7CSNK1DTGFBR1

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
EP-3068784-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-20 EP disclosed