SCHEMBL16647418

SCHEMBL16647418

C#C[C@]1(C)C(n2cnc3c(=O)[nH]c(N)nc32)O[C@](F)(CO)C1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ HPGD P15428 1/20 0.40
▸ TK1 P04183 2/20 0.39
▸ HINT1 P49773 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PNP P00491 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EDNRA P25101 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HPRT1 P00492 2/20 0.39

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
SCHEMBL15837491 0.90 ADORA3 (0.46) ADORA3HPGDTK1HINT1USP2
SCHEMBL16647452 0.89 ADORA3 (0.46) ADORA3HPGDTK1HINT1USP2
SCHEMBL25524860 0.88 ADORA3 (0.49) ADORA3HPGDTK1HINT1USP2
SCHEMBL15833027 0.83 ADORA3 (0.49) ADORA3TK1HINT1USP2PNP
SCHEMBL16374044 0.83 ADORA3 (0.49) ADORA3TK1HINT1USP2PNP
SCHEMBL16374041 0.83 ADORA3 (0.46) ADORA3HPGDTK1USP2PNP
SCHEMBL16644431 0.83 ADORA3 (0.46) ADORA3HPGDTK1USP2PNP
SCHEMBL15833211 0.83 ADORA3 (0.48) ADORA3TK1HINT1USP2PNP
SCHEMBL15833130 0.83 ADORA3 (0.48) ADORA3TK1HINT1USP2PNP
SCHEMBL16368147 0.83 ADORA3 (0.46) ADORA3HPGDTK1USP2PNP

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-2015054465-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-04-16 — — WO disclosed
Send feedback