SCHEMBL6843698

SCHEMBL6843698

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.60
▸ ADORA2A P29274 3/20 0.59
▸ ADORA2B P29275 3/20 0.59
▸ SLC29A1 Q99808 2/20 0.59
▸ ADORA3 P0DMS8 2/20 0.59
▸ DPP4 P27487 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SLC28A1 O00337 1/20 0.59
▸ MAP3K7 O43318 1/20 0.59
▸ SLC28A2 O43868 1/20 0.59
▸ GAPDH P04406 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ STAT6 P42226 1/20 0.59
▸ PI4KA P42356 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PI4K2B Q8TCG2 1/20 0.59
▸ DOT1L Q8TEK3 1/20 0.59
▸ PI4K2A Q9BTU6 1/20 0.59
▸ SLC28A3 Q9HAS3 1/20 0.59

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
SCHEMBL25284573 0.95 ADORA1 (0.66) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL24968581 0.95 ADORA1 (0.66) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL4456275 0.95 ADORA1 (0.66) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL24872346 0.95 ADORA1 (0.66) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL4456272 0.95 ADORA1 (0.66) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL25284572 0.95 ADORA1 (0.66) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL30605195 0.95 ADORA1 (0.66) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL8007481 0.94 ADORA2A (0.67) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL8007474 0.94 ADORA2A (0.67) ADORA1ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL6261501 0.94 ADORA2A (0.67) ADORA1ADORA2AADORA2BSLC29A1ADORA3

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-6762169-B1 IMPROVED TRANSMEMBRANE DELIVERY OF NUCLEOSIDES CONJUGATED TO AN ARYLPROPIONIC ACID LIGAND (IBUPROFEN) WHICH HAS AFFINITY FOR PLASMA PROTEIN ALBUMIN; ANTISENSE THERAPY ISIS PHARMACEUTICALS, INC. 2004-07-13 — — US disclosed
US-6656730-B1 Attached to an arylpropionic acid that interacts with human serum albumin; acid is ibuprofen, suprofen, ketoprofen, (S)-(+)- pranoprofen, or carprofen. ISIS PHARMACEUTICALS, INC. 2003-12-02 — — US disclosed
EP-1185305-A1 LIGAND-CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2002-03-13 — — EP disclosed
WO-2000076554-A1 LIGAND-CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2000-12-21 — — WO disclosed
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