SCHEMBL18587553

SCHEMBL18587553

CCCCc1nc2c(N)nc3cccc(CCCN)c3c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.50
TLR7 Q9NYK1 3/20 0.42
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
PRKCD Q05655 1/20 0.39
PAK1 Q13153 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
PARP1 P09874 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL18585619 0.97 TLR8 (0.52) TLR8TLR7
SCHEMBL18587589 0.94 TLR8 (0.48) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL18587595 0.91 TLR8 (0.46) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL5508094 0.87 TLR8 (0.41) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL20624057 0.86 TLR8 (0.40) TLR8TLR7
Hydrochloric Acid SCHEMBL5504623 0.86 TLR8 (0.40) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL18588106 0.86 TLR8 (0.42) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL24409504 0.85 TLR8 (0.40) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL18587114 0.84 TLR8 (0.46) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL21976788 0.84 TLR8 (0.39) TLR8TLR7CSNK1A1CSNK1DPRKCD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344622-A1 GUANIDINE SUBSTITUTED IMIDAZO[4,5-c]RING COMPOUNDS 3M Innovative Properties Company (US) 2018-07-11 EP disclosed
WO-2017040233-A1 GUANIDINE SUBSTITUTED IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-03-09 WO disclosed