SCHEMBL21969548

SCHEMBL21969548

COc1cc(-c2ccc(=O)[nH]n2)ccc1C(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 7/20 0.70
PDE4B Q07343 6/20 0.70
PDE3B Q13370 6/20 0.70
PDE4A P27815 5/20 0.70
PDE4C Q08493 5/20 0.70
PDE4D Q08499 5/20 0.70
LMNA P02545 3/20 0.70
CYP1A2 P05177 3/20 0.70
CYP2C9 P11712 2/20 0.70
MAPK1 P28482 2/20 0.70
CYP2C19 P33261 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
TP53 P04637 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 4/20 0.41

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
SCHEMBL8479743 0.83 PDE4A (1.00) PDE3APDE4BPDE3BPDE4APDE4C
Zardaverine SCHEMBL29388700 0.83 PDE4A (1.00) PDE3APDE4BPDE3BPDE4APDE4C
Zardaverine SCHEMBL13334 0.83 PDE4A (1.00) PDE3APDE4BPDE3BPDE4APDE4C
Zardaverine SCHEMBL15263214 0.83 PDE4A (1.00) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10779323 0.83 PDE4A (1.00) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL17446992 0.80 PDE4A (0.78) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL5765567 0.79 PDE4A (0.76) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10761953 0.78 PDE4B (0.79) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10757789 0.78 PDE4A (0.79) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10761260 0.78 PDE4A (0.79) PDE3APDE4BPDE3BPDE4APDE4C

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
EP-2970145-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER BROAD INST INC (US) 2020-05-06 EP disclosed