SCHEMBL11069723

SCHEMBL11069723

Cn1c(=O)c2n[nH]c(=O)n2c2cc3ccccc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CHEK1 O14757 1/20 0.41
ADORA1 P30542 2/20 0.41
DAO P14920 1/20 0.41
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
PDE2A O00408 1/20 0.40
PDE5A O76074 2/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
RET P07949 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL10747539 0.86 ADORA3 (0.50) CHEK1ADORA1PDE3BPDE3APDE5A
SCHEMBL10742951 0.84 KDM4E (0.42) CHEK1SMN1; SMN2KDM4EALDH1A1AURKA
SCHEMBL10746357 0.83 KDM4E (0.49) LMNACHEK1ADORA1DAOPDE3B
SCHEMBL10745926 0.81 CYP2C9 (0.40) LMNACHEK1ADORA1PDE3BPDE3A
SCHEMBL10744610 0.81 PARP10 (0.49) CHEK1DAOPDE3BPDE3APDE2A
SCHEMBL10746913 0.81 PARP10 (0.49) CHEK1DAOPDE3BPDE3APDE2A
SCHEMBL10743293 0.80 MTNR1B (0.42) CHEK1ADORA1PDE3BPDE3APDE2A
SCHEMBL10745368 0.76 CYP1A2 (0.40) PDE2AALDH1A1BLMKMT2A
SCHEMBL10745104 0.76 KDM4E (0.40) ADORA1SMN1; SMN2KDM4EALDH1A1ADORA3
SCHEMBL10742152 0.75 FEN1 (0.39) CHEK1ADORA1DAOPDE3BPDE3A

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-0039920-B1 TRIAZALOQUINOXALIN-1,4-DIONES USV PHARMACEUTICAL CORPORATION (US) 1984-07-25 EP claimed
EP-0039920-A2 Triazaloquinoxalin-1,4-diones USV PHARMACEUTICAL CORPORATION (US) 1981-11-18 EP claimed