SCHEMBL22410700

SCHEMBL22410700

COc1ccc(C(=O)N2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ MGLL Q99685 2/20 0.48
▸ TNKS O95271 5/20 0.48
▸ TNKS2 Q9H2K2 5/20 0.48
▸ PARP10 Q53GL7 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 3/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ DCTPP1 Q9H773 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL22410647 0.99 MAPK1 (0.52) MAPK1ADORA2AADORA1MGLLTNKS
SCHEMBL22410646 0.80 ADORA2A (0.52) ADORA2AADORA1MGLLNPC1HPGD
SCHEMBL22410635 0.79 ADORA2A (0.57) ADORA2AADORA1MGLLTNKSTNKS2
SCHEMBL22410820 0.77 ADORA2A (0.55) ADORA2AADORA1MGLLTNKSTNKS2
SCHEMBL22410955 0.77 ADORA2A (0.54) ADORA2AADORA1MGLLTNKSTNKS2
SCHEMBL22410636 0.76 ADORA2A (0.56) ADORA2AADORA1MGLLTNKSTNKS2
SCHEMBL22410904 0.75 ADORA2A (0.54) ADORA2AADORA1TNKSTNKS2HPGD
SCHEMBL22410613 0.75 ADORA2A (0.54) ADORA2AADORA1MGLLTNKSTNKS2
SCHEMBL6848676 0.73 HPGD (0.53) ADORA2AADORA1MGLLTNKSTNKS2
SCHEMBL22410661 0.73 ADORA2A (0.55) ADORA2AADORA1MGLLTNKSTNKS2

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-3938362-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-01-19 — — EP claimed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO claimed
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