SCHEMBL18486808

SCHEMBL18486808

Cc1nc(N)c2c(C#N)cn([C@@H]3OC(CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 3/20 0.56
ADK P55263 2/20 0.56
PAX8 Q06710 2/20 0.53
HIF1A Q16665 2/20 0.53
DNMT1 P26358 2/20 0.47
PRMT5 O14744 1/20 0.47
PRMT3 O60678 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46
S1PR4 O95977 1/20 0.46
MAPT P10636 1/20 0.46
S1PR1 P21453 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
TP53 P04637 2/20 0.45
GMNN O75496 1/20 0.45

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
SCHEMBL18483493 1.00 DOT1L (0.56) DOT1LADKPAX8HIF1ADNMT1
SCHEMBL18484348 0.88 HIF1A (0.54) DOT1LADKPAX8HIF1ADNMT1
SCHEMBL22159896 0.88 HIF1A (0.54) DOT1LADKPAX8HIF1ADNMT1
SCHEMBL18483516 0.88 DOT1L (0.54) DOT1LADKPAX8HIF1ADNMT1
SCHEMBL11526151 0.87 ADK (0.56) DOT1LADKPAX8HIF1ADNMT1
SCHEMBL18483520 0.87 HIF1A (0.53) DOT1LADKPAX8HIF1AALDH1A1
SCHEMBL18484339 0.85 HIF1A (0.52) DOT1LADKPAX8HIF1ADNMT1
SCHEMBL18483514 0.84 ADK (0.58) DOT1LADKPAX8HIF1ADNMT1
SCHEMBL18874621 0.83 ADK (0.50) DOT1LADKPAX8HIF1ADNMT1
Water SCHEMBL20840353 0.83 ALDH1A1 (0.56) DOT1LADKPAX8HIF1ADNMT1

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-2017024310-A1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF USEFUL AS ANTIVIRAL AGENTS CHIMERIX, INC. (US) 2017-02-09 WO disclosed