SCHEMBL21837304

SCHEMBL21837304

COc1ccc(C(OC[C@H]2O[C@@H](c3csc4c(NC(=O)c5ccccc5)ncnc34)[C@H](F)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.36
▸ TYMP P19971 1/20 0.35
▸ KDR P35968 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB3 P21860 1/20 0.33
▸ AURKA O14965 3/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21837296 0.89 TYMP (0.42) ADORA3TYMPKDRSCDBRD4
SCHEMBL21837294 0.86 PRMT6 (0.33) BRD4ADORA1SMN1; SMN2
SCHEMBL21837303 0.82 GPR119 (0.32) ADORA3BRD4AURKARPS6KB1ADORA1
SCHEMBL29788402 0.82 ADORA3 (0.34) ADORA3KDRSCDBRD4EGFR
SCHEMBL21837314 0.82 ADORA3 (0.34) ADORA3KDRSCDBRD4EGFR
SCHEMBL21837308 0.82 ADORA3 (0.34) ADORA3KDRSCDBRD4EGFR
SCHEMBL29792969 0.81 TYMP (0.49) TYMPADORA1
SCHEMBL18797934 0.79 TYMP (0.49) TYMPADORA1
SCHEMBL18797902 0.79 TYMP (0.49) TYMPADORA1
SCHEMBL18822662 0.79 TYMP (0.49) TYMPADORA1

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-3693367-A1 THIENO [3,2-D]PYRIMIDINES, FURO [3,2,D]PYRIMIDINES AND PYRROLO [3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-08-12 — — EP disclosed
EP-3174870-B1 THIENO [3,2-D]PYRIMIDINES, FURO [3,2,D]PYRIMIDINES AND PYRROLO [3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2020-04-15 — — EP disclosed
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