SCHEMBL5977911

SCHEMBL5977911

CCCNOC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.67
▸ ADORA1 P30542 3/20 0.67
▸ ADORA2A P29274 2/20 0.67
▸ ADORA2B P29275 2/20 0.67
▸ PI4KA P42356 2/20 0.67
▸ PI4K2B Q8TCG2 2/20 0.67
▸ PI4K2A Q9BTU6 2/20 0.67
▸ PI4KB Q9UBF8 2/20 0.67
▸ DPP4 P27487 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ SLC28A1 O00337 1/20 0.67
▸ MAP3K7 O43318 1/20 0.67
▸ SLC28A2 O43868 1/20 0.67
▸ GAPDH P04406 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ STAT6 P42226 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ DOT1L Q8TEK3 1/20 0.67
▸ SLC29A1 Q99808 1/20 0.67

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
SCHEMBL5977903 1.00 ADORA3 (0.67) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL6754461 0.93 ADORA1 (0.64) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL6754465 0.93 ADORA1 (0.64) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL8938093 0.93 ADORA1 (0.62) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL9011485 0.93 ADORA1 (0.62) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL9011483 0.93 ADORA1 (0.62) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL9011465 0.93 ADORA1 (0.62) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL9011463 0.93 ADORA1 (0.62) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL8938091 0.93 ADORA1 (0.62) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL5219311 0.92 ADORA3 (0.67) ADORA3ADORA1ADORA2AADORA2BPI4KA

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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