SCHEMBL7443281

SCHEMBL7443281

CCn1c(=O)[nH]c2ncn(Cc3cc(OC)c(OC)c(OC)c3)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 4/20 0.46
PARN O95453 1/20 0.46
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
FYN P06241 1/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ADORA2A P29274 1/20 0.39
MAP3K11 Q16584 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE5A O76074 1/20 0.38

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
SCHEMBL2984842 0.82 CNOT7 (0.54) CNOT7PARNADORA2AMEN1KMT2A
SCHEMBL2993196 0.81 CNOT7 (0.53) CNOT7PARNADORA2AMEN1KMT2A
SCHEMBL13861874 0.80 CNOT7 (0.70) CNOT7PARNADORA2AMEN1KMT2A
SCHEMBL7985247 0.78 HSP90AA1 (0.45) HSP90AA1HSP90AB1FYNMEN1KMT2A
SCHEMBL10812168 0.78 PDE4A (0.53) CNOT7PARNPDE4APDE4BPDE4C
SCHEMBL9844553 0.74 PDE4A (0.56) CNOT7PARNPDE4APDE4BPDE4C
SCHEMBL27461932 0.72 PDE4A (0.49) CNOT7PARNPDE4APDE4BPDE4C
SCHEMBL7985241 0.71 HSP90AA1 (0.45) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL8798601 0.71 CNOT7 (0.76) CNOT7PARNMEN1KMT2A
SCHEMBL26925735 0.70 CYP3A4 (0.66) PDE4APDE4BPDE4CPDE4DADORA2A

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-0550570-A1 XANTHINE DERIVATIVES Beecham Group p.l.c. (GB) 1993-07-14 EP claimed
WO-1992005175-A1 XANTHINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-04-02 WO claimed