SCHEMBL4730472

SCHEMBL4730472

COc1cccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2OCCC#N)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.41
▸ P2RY12 Q9H244 3/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PAX8 Q06710 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL4730470 0.90 TYMP (0.45) TYMPP2RY12
SCHEMBL4731005 0.88 TYMP (0.52) TYMPP2RY12
SCHEMBL4727394 0.82 ADORA1 (0.46) ADORA1
SCHEMBL4727404 0.82 ADORA1 (0.46) ADORA1
SCHEMBL29720326 0.81 TYMP (0.48) TYMPP2RY12PRMT6
SCHEMBL3822659 0.80 TYMP (0.47) TYMPP2RY12PRMT6ADORA1
SCHEMBL29674590 0.79 TYMP (0.39) TYMPP2RY12PRMT6
SCHEMBL2054229 0.79 TYMP (0.39) TYMPP2RY12PRMT6
SCHEMBL29449394 0.79 TYMP (0.39) TYMPP2RY12PRMT6
SCHEMBL15786367 0.79 TYMP (0.39) TYMPP2RY12PRMT6

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
WO-2008037568-A2 REVERSIBLE TERMINATORS FOR EFFICIENT SEQUENCING BY SYNTHESIS QUIATECH AB (SE) 2008-04-03 — — WO disclosed
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