SCHEMBL18797906

SCHEMBL18797906

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OP(=S)(OCCC#N)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(NC(=O)C(C)C)nc54)[C@H](F)[C@@H]3O[PH](=O)O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.37
▸ GAPDH P04406 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ P2RY12 Q9H244 4/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NT5E P21589 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
SCHEMBL18490592 0.98 TYMP (0.37) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL22301451 0.97 TYMP (0.38) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18992202 0.97 TYMP (0.38) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18048088 0.95 TYMP (0.40) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18797900 0.95 TYMP (0.39) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18797879 0.94 TYMP (0.39) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL22301448 0.94 TYMP (0.39) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18917302 0.93 KDM4E (0.37) GAPDHTAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18917307 0.93 KDM4E (0.37) GAPDHTAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18797869 0.93 TYMP (0.39) TYMPGAPDHP2RY12PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368072-A1 COMPOSITIONS AND METHODS FOR ACTIVATING \"STIMULATOR OF INTERFERON GENE\"-DEPENDENT SIGNALLING Aduro BioTech, Inc. (US) 2018-09-05 — — EP disclosed
WO-2017075477-A1 COMPOSITIONS AND METHODS FOR ACTIVATING \"STIMULATOR OF INTERFERON GENE\"-DEPENDENT SIGNALLING Aduro Biotech, Inc. (US) 2017-05-04 — — WO disclosed
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