SCHEMBL5981813

SCHEMBL5981813

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1OCCCNC(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.61
▸ ADORA3 P0DMS8 6/20 0.58
▸ ADORA2B P29275 3/20 0.58
▸ ADORA2A P29274 3/20 0.58
▸ DOT1L Q8TEK3 2/20 0.58
▸ DPP4 P27487 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ SLC28A1 O00337 1/20 0.58
▸ MAP3K7 O43318 1/20 0.58
▸ SLC28A2 O43868 1/20 0.58
▸ GAPDH P04406 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ STAT6 P42226 1/20 0.58
▸ PI4KA P42356 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PI4K2B Q8TCG2 1/20 0.58
▸ SLC29A1 Q99808 1/20 0.58
▸ PI4K2A Q9BTU6 1/20 0.58
▸ SLC28A3 Q9HAS3 1/20 0.58

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
SCHEMBL5981804 1.00 ADORA1 (0.61) ADORA1ADORA3ADORA2BADORA2ADOT1L
SCHEMBL5249503 0.93 ADORA3 (0.58) ADORA1ADORA3ADORA2BADORA2ADOT1L
SCHEMBL5249494 0.93 ADORA3 (0.58) ADORA1ADORA3ADORA2BADORA2ADOT1L
SCHEMBL17428139 0.91 ADORA1 (0.59) ADORA1ADORA3ADORA2BADORA2ADOT1L
SCHEMBL14425024 0.86 ADORA3 (0.69) ADORA1ADORA3ADORA2BADORA2ADOT1L
SCHEMBL5980036 0.86 ADORA3 (0.69) ADORA1ADORA3ADORA2BADORA2ADOT1L
SCHEMBL5980045 0.86 ADORA3 (0.69) ADORA1ADORA3ADORA2BADORA2ADOT1L
SCHEMBL7642296 0.84 PRKACA (0.65) ADORA1ADORA3ADORA2BADORA2ADOT1L
SCHEMBL5982587 0.84 KRAS (0.57) —
SCHEMBL5982600 0.84 KRAS (0.57) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037646-B1 Amine-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2006-05-02 — — US disclosed
EP-0728139-B1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2003-08-13 — — EP disclosed
EP-0728139-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1996-08-28 — — EP disclosed
WO-1995006659-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-03-09 — — WO disclosed
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