SCHEMBL4730470

SCHEMBL4730470

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2OCCC#N)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.45
▸ P2RY12 Q9H244 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ GAPDH P04406 1/20 0.37

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
SCHEMBL4730472 0.90 TYMP (0.41) TYMPP2RY12
SCHEMBL3822659 0.90 TYMP (0.47) TYMPP2RY12ADORA2AADORA2B
SCHEMBL21577261 0.89 TYMP (0.46) TYMPP2RY12ADORA2AADORA2B
SCHEMBL29674590 0.88 TYMP (0.39) TYMPP2RY12GAPDH
SCHEMBL29449394 0.88 TYMP (0.39) TYMPP2RY12GAPDH
SCHEMBL2054229 0.88 TYMP (0.39) TYMPP2RY12GAPDH
SCHEMBL15786367 0.88 TYMP (0.39) TYMPP2RY12GAPDH
SCHEMBL14062513 0.87 TYMP (0.45) TYMPP2RY12ADORA2AADORA2BGAPDH
SCHEMBL17911711 0.87 TYMP (0.45) TYMPP2RY12ADORA2AADORA2B
SCHEMBL14063335 0.87 TYMP (0.45) TYMPP2RY12ADORA2AADORA2BGAPDH

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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