SCHEMBL14944753

SCHEMBL14944753

Cc1ccc(Cn2c(=O)n(C)c3c(N)nc(-c4nc(C5CC5)c[nH]4)nc32)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP1 O94782 5/20 0.39
TLR7 Q9NYK1 10/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 4/20 0.35
MTOR P42345 2/20 0.35
PIK3CA P42336 1/20 0.35
PARG Q86W56 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL16206182 0.85 TLR7 (0.54) TLR7ADORA1
SCHEMBL14944686 0.75 TLR7 (0.33) TLR7ADORA1
SCHEMBL14944728 0.72 TLR7 (0.61) TLR7
SCHEMBL16206185 0.72 TLR7 (0.61) TLR7
SCHEMBL14944656 0.68 TLR7 (0.53) TLR7KMT2A
SCHEMBL20343744 0.68 TLR7 (0.32) TLR7ADORA1
SCHEMBL14944679 0.66 TLR7 (0.38) TLR7
SCHEMBL19419442 0.66 ADORA2A (0.49) TLR7ADORA2AADORA1
SCHEMBL14944620 0.66 TLR7 (0.59) TLR7ADORA1
SCHEMBL14944681 0.63 TLR7 (0.55) TLR7

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-2013068438-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2013-05-16 WO disclosed