SCHEMBL20879513

SCHEMBL20879513

C[C@@]1(CO)CC[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.53
HPRT1 P00492 2/20 0.46
PNP P00491 3/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
TK1 P04183 2/20 0.44
HINT1 P49773 1/20 0.43

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
SCHEMBL9548765 0.87 ADORA3 (0.55) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL22241500 0.86 ADORA3 (0.52) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL20327064 0.85 ADORA3 (0.53) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL9152455 0.85 ADORA3 (0.51) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL9152465 0.85 ADORA3 (0.51) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL26693534 0.84 ADORA3 (0.52) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL15075488 0.83 ADORA3 (0.51) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL9548708 0.83 ADORA3 (0.51) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL9548850 0.81 ADORA3 (0.49) ADORA3HPRT1PNPUSP2TSHR
SCHEMBL9548837 0.81 ADORA3 (0.49) ADORA3HPRT1PNPUSP2TSHR

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
EP-3466959-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen BioPharma, Inc. (US) 2019-04-10 EP disclosed