SCHEMBL18950662

SCHEMBL18950662

Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3OCC(=O)NCCNC(=O)C(F)(F)F)c2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.49
▸ ADORA2A P29274 9/20 0.48
▸ ADORA3 P0DMS8 5/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NT5E P21589 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ADORA2B P29275 5/20 0.47
▸ PGK1 P00558 1/20 0.47
▸ PGK2 P07205 1/20 0.47
▸ HSP90B1 P14625 1/20 0.46
▸ ADORA1 P30542 5/20 0.46
▸ PDE2A O00408 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PDE3A Q14432 1/20 0.46

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
SCHEMBL16002754 1.00 HINT1 (0.49) HINT1ADORA2AADORA3LMNANT5E
SCHEMBL17428139 0.90 ADORA1 (0.59) ADORA2AADORA3HIF1AADORA2BHSP90B1
SCHEMBL18950669 0.89 HINT1 (0.52) HINT1ADORA2AADORA3LMNANT5E
SCHEMBL15993870 0.89 HINT1 (0.52) HINT1ADORA2AADORA3LMNANT5E
SCHEMBL16002740 0.89 HINT1 (0.52) HINT1ADORA2AADORA3LMNANT5E
SCHEMBL17417840 0.87 KRAS (0.53) HINT1NT5E
SCHEMBL16002733 0.87 KRAS (0.53) HINT1NT5E
SCHEMBL17417839 0.87 KRAS (0.53) HINT1NT5E
SCHEMBL17428184 0.82 ACHE (0.47) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL16002755 0.82 ADORA2A (0.57) HINT1ADORA2AADORA3LMNANT5E

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-2961757-B1 CELL-PENETRATING OLIGONUCLEOTIDES OLIGOMER SCIENCES AB (SE) 2017-06-14 — — EP disclosed
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