SCHEMBL21837296

SCHEMBL21837296

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.42
▸ ADORA3 P0DMS8 5/20 0.39
▸ KDR P35968 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB3 P21860 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34

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
SCHEMBL21837304 0.89 ADORA3 (0.36) TYMPADORA3KDRBRD4EGFR
SCHEMBL17465435 0.82 BRD4 (0.35) ADORA3BRD4ADORA2AADORA1KDM4E
SCHEMBL17479346 0.82 LGALS9 (0.38) ADORA3BRD4ADORA2AADORA1
SCHEMBL17465396 0.82 LGALS9 (0.38) ADORA3BRD4ADORA2AADORA1
SCHEMBL17465407 0.81 PDPK1 (0.35) ADORA3BRD4ADORA2AADORA1SCD
SCHEMBL22034220 0.79 TYMP (0.58) TYMPADORA2AADORA1
SCHEMBL21284194 0.79 TYMP (0.58) TYMPADORA2AADORA1
SCHEMBL8359092 0.79 TYMP (0.58) TYMPADORA2AADORA1
SCHEMBL21245356 0.79 TYMP (0.58) TYMPADORA2AADORA1
SCHEMBL8359090 0.79 TYMP (0.58) TYMPADORA2AADORA1

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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