SCHEMBL21837310

SCHEMBL21837310

[N-]=[N+]=NC1(CI)O[C@@H](c2csc3c(NC(=O)c4ccccc4)ncnc23)[C@H](F)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ HCAR3 P49019 1/20 0.30

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
SCHEMBL17465417 1.00 PDPK1 (0.31) PDPK1BRD4HCAR3
SCHEMBL17453491 0.84 ADORA2A (0.34) —
SCHEMBL19644596 0.80 BRD4 (0.35) PDPK1BRD4HCAR3
SCHEMBL31406971 0.80 AURKA (0.32) —
SCHEMBL16708516 0.77 POLRMT (0.42) —
SCHEMBL17465423 0.77 TMPRSS2 (0.34) PDPK1BRD4HCAR3
SCHEMBL17465407 0.76 PDPK1 (0.35) PDPK1BRD4
SCHEMBL17465398 0.75 BRD4 (0.34) PDPK1BRD4HCAR3
SCHEMBL17465425 0.75 BRD4 (0.34) PDPK1BRD4HCAR3
SCHEMBL17465396 0.75 LGALS9 (0.38) PDPK1BRD4

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
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