SCHEMBL8434883

SCHEMBL8434883

N#Cc1ccc(Cn2c(=O)sc3c(=O)[nH]c(N)nc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 5/20 0.44
TLR7 Q9NYK1 2/20 0.42
DHFR P00374 1/20 0.39
TYMS P04818 7/20 0.38
USP1 O94782 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8435392 0.85 TYMS (0.52) PNPTLR7TYMSKDM4EALDH1A1
SCHEMBL8434466 0.84 TYMS (0.53) PNPTLR7DHFRTYMSMEN1
SCHEMBL8439184 0.84 PNP (0.61) PNPTLR7TYMSKDM4EALDH1A1
SCHEMBL338656 0.77 PNP (0.46) PNPTLR7TYMSALDH1A1PKM
SCHEMBL22040457 0.77 PNP (0.55) PNPTLR7DHFRTYMSKDM4E
SCHEMBL13851087 0.76 HPGD (0.51) PNPTLR7HPGD
SCHEMBL8440066 0.72 PNP (0.41) PNPTLR7
SCHEMBL339228 0.70 TLR7 (0.47) TLR7MEN1KMT2A
SCHEMBL339348 0.69 TLR7 (0.38) TLR7
SCHEMBL6977181 0.69 TLR7 (0.38) 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
US-5994321-A Antiviral guanine analogs ARONEX PHARMACEUTICALS, INC. (US) 1999-11-30 US disclosed