SCHEMBL6928627

SCHEMBL6928627

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](OC)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 6/20 0.40
P2RY14 Q15391 2/20 0.40
NT5E P21589 1/20 0.40
TYMP P19971 6/20 0.36
POLB P06746 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
P2RY2 P41231 3/20 0.34
P2RY4 P51582 2/20 0.34
GAPDH P04406 1/20 0.33
ST6GAL1 P15907 1/20 0.32
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL6935455 0.95 P2RY6 (0.40) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL29195406 0.95 TYMP (0.37) P2RY6P2RY14NT5ETYMPP2RY2
SCHEMBL31229956 0.95 TYMP (0.37) P2RY6P2RY14NT5ETYMPP2RY2
SCHEMBL26535949 0.95 TYMP (0.37) P2RY6P2RY14NT5ETYMPP2RY2
SCHEMBL667613 0.95 TYMP (0.37) P2RY6P2RY14NT5ETYMPP2RY2
SCHEMBL24878606 0.95 TYMP (0.37) P2RY6P2RY14NT5ETYMPP2RY2
SCHEMBL31160167 0.94 P2RY6 (0.39) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL30702563 0.94 P2RY6 (0.39) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL31160206 0.94 P2RY6 (0.39) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL6935052 0.93 P2RY6 (0.39) P2RY6P2RY14NT5ETYMPPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651759-B1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS INC (US) 2003-12-10 EP disclosed
EP-1223173-A2 Novel 2'-O-alkyl nucleosides and phosphoramidites processes for the preparation and uses thereof ISIS PHARMACEUTICALS, INC. (US) 2002-07-17 EP disclosed
US-6242592-B1 Process for the preparation of 2′-O-alkyl-guanosine, cytidine, and uridine phosphoramidites ISIS PHARMACEUTICALS, INC. 2001-06-05 US disclosed
US-6133438-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 2000-10-17 US disclosed
US-5914396-A 2'-O-modified nucleosides and phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-06-22 US disclosed
US-5856466-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-01-05 US disclosed
US-5646265-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMCEUTICALS, INC. (US) 1997-07-08 US disclosed