SCHEMBL16441151

SCHEMBL16441151

CCCC(C)Nc1nc(C)nc2cc(C)sc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ HCAR3 P49019 1/20 0.35
▸ ADORA2B P29275 6/20 0.33
▸ ADORA3 P0DMS8 6/20 0.33
▸ ADORA2A P29274 6/20 0.33
▸ ADORA1 P30542 3/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL17829996 0.86 TLR8 (0.52) TLR8TLR7ELANEADORA1
SCHEMBL22448336 0.83 ELANE (0.35) CRHR1TLR8TLR7ELANEHCAR3
SCHEMBL22448323 0.77 CYP3A4 (0.41) CRHR1TLR8TLR7CYP3A4
SCHEMBL12105229 0.66 SMN1; SMN2 (0.33) TLR8TLR7ADORA2A
SCHEMBL17830002 0.65 TLR8 (0.42) CRHR1TLR8TLR7
SCHEMBL22448325 0.64 TLR8 (0.42) TLR8TLR7
SCHEMBL18711461 0.63 PIK3CA (0.34) ADORA2BADORA2A
SCHEMBL26173565 0.63 TSHR (0.43) CRHR1ADORA3CYP3A4
SCHEMBL17829984 0.63 TLR8 (0.56) TLR8TLR7ADORA2AADORA1
SCHEMBL18511556 0.63 TLR7 (0.54) CRHR1TLR8TLR7ADORA3CYP3A4

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-2015014815-A1 THIENO[3,2-d]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2015-02-05 — — WO disclosed
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