SCHEMBL17114353

SCHEMBL17114353

Nc1nc(Cl)nc2c1ccn2[C@H]1CC(O)C(CO)O1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ PDE4D Q08499 1/20 0.66
▸ PDE3A Q14432 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.66
▸ ADRB1 P08588 1/20 0.48
▸ DNMT1 P26358 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ NT5E P21589 2/20 0.45
▸ METTL3 Q86U44 3/20 0.43
▸ PRMT5 O14744 2/20 0.42

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
SCHEMBL21423110 1.00 PNP (0.66) PNPLMNATP53HTTPDE4D
SCHEMBL17106676 1.00 PNP (0.66) PNPLMNATP53HTTPDE4D
SCHEMBL21423109 1.00 PNP (0.66) PNPLMNATP53HTTPDE4D
SCHEMBL17106782 0.88 DNMT1 (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL12123493 0.88 DNMT1 (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL12125100 0.88 DNMT1 (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL17131306 0.88 PDE4D (0.51) PNPLMNATP53HTTPDE4D
SCHEMBL17106831 0.86 LMNA (0.49) PNPLMNATP53HTTPDE4D
2'-Deoxytubercidin SCHEMBL23982321 0.81 METTL3 (0.57) PNPLMNATP53HTTPDE4D
2'-Deoxytubercidin SCHEMBL13314431 0.81 METTL3 (0.57) PNPLMNATP53HTTPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122752-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP disclosed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO disclosed
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