SCHEMBL21837308

SCHEMBL21837308

COc1ccc(C(OC[C@]2(CO)O[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 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ERBB3 P21860 1/20 0.33
▸ AURKA O14965 7/20 0.32
▸ AURKB Q96GD4 6/20 0.32
▸ RPS6KB1 P23443 4/20 0.32
▸ F2 P00734 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDR P35968 1/20 0.31
▸ SCD O00767 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL29788402 1.00 ADORA3 (0.34) ADORA3EGFRERBB3AURKAAURKB
SCHEMBL21837314 0.95 ADORA3 (0.34) ADORA3EGFRERBB3AURKAAURKB
SCHEMBL21837302 0.89 GPR119 (0.31) —
SCHEMBL21837309 0.88 GPR119 (0.32) AURKAAURKBRPS6KB1BRD4
SCHEMBL17453463 0.85 — —
SCHEMBL21837304 0.82 ADORA3 (0.36) ADORA3EGFRERBB3AURKAAURKB
SCHEMBL17453456 0.81 RPS6KB1 (0.31) AURKAAURKBRPS6KB1
SCHEMBL31678879 0.80 — —
SCHEMBL17479810 0.80 GPR119 (0.30) —
SCHEMBL17453474 0.79 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023650-A1 4'-SUBSTITUTED-FURO[3,2-D]PYRIMIDINE AND -PYRROLO[3,2- D]PYRIMIDINE DERIVATIVES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2022-07-06 — — EP disclosed
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
Send feedback