SCHEMBL21574271

SCHEMBL21574271

C#CCOC1C(n2cnc3c(NC(=O)c4ccccc4)ncnc32)OC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.54
P2RY12 Q9H244 1/20 0.45
ADORA1 P30542 3/20 0.44
PRMT6 Q96LA8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43

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
SCHEMBL29936775 1.00 TYMP (0.54) TYMPP2RY12ADORA1PRMT6ADORA2A
SCHEMBL21652355 1.00 TYMP (0.54) TYMPP2RY12ADORA1PRMT6ADORA2A
SCHEMBL17861061 1.00 TYMP (0.54) TYMPP2RY12ADORA1PRMT6ADORA2A
SCHEMBL21158665 1.00 TYMP (0.54) TYMPP2RY12ADORA1PRMT6ADORA2A
SCHEMBL19509810 1.00 TYMP (0.54) TYMPP2RY12ADORA1PRMT6ADORA2A
SCHEMBL13010052 0.94 TYMP (0.51) TYMPP2RY12PRMT6
SCHEMBL6900160 0.92 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30200670 0.92 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6834984 0.92 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL1040958 0.92 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B

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-3569711-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS Dicerna Pharmaceuticals, Inc. (US) 2019-11-20 EP disclosed