SCHEMBL28814714

SCHEMBL28814714

CC(C)Cn1c(=O)n(C)c(=O)c2ncn(-n3cnc4c(=O)n(C)c(=O)n(CC(C)C)c43)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 8/20 0.49
PDE1B Q01064 8/20 0.49
PDE1C Q14123 8/20 0.49
PDE2A O00408 6/20 0.49
CFTR P13569 2/20 0.49
PDE5A O76074 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
PDE4A P27815 1/20 0.49
MAPK1 P28482 1/20 0.49
ADORA1 P30542 1/20 0.49
SCN1A P35498 1/20 0.49
PDE6C P51160 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE7A Q13946 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL13111707 0.88 PDE1A (0.49) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL7637587 0.83 PDE1A (0.45) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL7089135 0.82 PDE1A (0.47) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL15168097 0.76 KMT2A (0.45) PDE1APDE1BPDE1CTSHRALDH1A1
Isobutylmethylxanthine SCHEMBL1020643 0.72 PDE2A (0.62) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL29015257 0.70 KDM4E (0.34) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL1200300 0.70 ADORA2A (0.68) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL10992924 0.70 PDE1A (0.46) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL11033822 0.69 PDE1A (0.73) PDE1APDE1BPDE1CPDE2ACFTR
SCHEMBL17682185 0.67 LMNA (0.50) PDE4AADORA1PDE4BPDE4CPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114894931-A Detection reagent, detection method and application of guanosine cyclophosphate 北京豪思生物科技股份有限公司 2022-08-12 CN disclosed