SCHEMBL10890263

SCHEMBL10890263

Nc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ADRA1A P35348 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3A Q14432 1/20 0.52
LMNA P02545 4/20 0.51
MTOR P42345 2/20 0.51
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
MDM2 Q00987 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
GMNN O75496 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
DNMT1 P26358 1/20 0.51
THPO P40225 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL10890255 1.00 PDE2A (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL5144444 0.89 ALB (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL10893449 0.89 ALB (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL15948781 0.89 ALB (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL5144452 0.89 ALB (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL5144448 0.89 ALB (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL10024111 0.89 ALB (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL21783539 0.89 ALB (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL21783537 0.89 ALB (0.52) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL1138566 0.88 LMNA (0.64) ADORA3ADORA2ALMNAMTORALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010205-B1 5-SUBSTITUTED 1-(2'-DEOXY-2'-SUBSTITUTED-BETA-D-ARABINOFURANOSYL) PYRIMIDINE NUCLEOSIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sloan-Kettering Institute For Cancer Research (US) 1983-05-04 EP claimed
US-4211773-A VIRICIDES, ANTITUMOR AGENTS SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1980-07-08 US claimed
EP-0010205-A1 5-Substituted 1-(2'-deoxy-2'-substituted-beta-D-arabinofuranosyl) pyrimidine nucleosides and pharmaceutical compositions containing them Sloan-Kettering Institute For Cancer Research (US) 1980-04-30 EP claimed
US-4594339-A Veterinary medicine SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1986-06-10 US disclosed
EP-0010205-B1 5-SUBSTITUTED 1-(2'-DEOXY-2'-SUBSTITUTED-BETA-D-ARABINOFURANOSYL) PYRIMIDINE NUCLEOSIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sloan-Kettering Institute For Cancer Research (US) 1983-05-04 EP disclosed
US-4211773-A VIRICIDES, ANTITUMOR AGENTS SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1980-07-08 US disclosed
EP-0010205-A1 5-Substituted 1-(2'-deoxy-2'-substituted-beta-D-arabinofuranosyl) pyrimidine nucleosides and pharmaceutical compositions containing them Sloan-Kettering Institute For Cancer Research (US) 1980-04-30 EP disclosed