SCHEMBL4950376

SCHEMBL4950376

CCc1nc(C(F)(F)F)nc2c1ncn2Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.55
PDE4B Q07343 4/20 0.55
PDE4C Q08493 4/20 0.55
PDE4D Q08499 4/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
YTHDC1 Q96MU7 5/20 0.44
SLC29A1 Q99808 1/20 0.43
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4460257 0.89 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4476351 0.86 YTHDC1 (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4457602 0.83 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16585761 0.83 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4478064 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4461234 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4467324 0.81 PI4KA (0.48)
SCHEMBL3127059 0.78 YTHDC1 (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4472995 0.73 XDH (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4457782 0.72 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US claimed