SCHEMBL6222292

SCHEMBL6222292

O=CC(=O)N(c1nnc[nH]1)c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ CNR2 P34972 5/20 0.42
▸ CNR1 P21554 4/20 0.42
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ APP P05067 2/20 0.35
▸ SNCA P37840 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KAT2B Q92831 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL6222754 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6224864 0.81 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6223621 0.80 TP53 (0.45) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6224508 0.78 CNR2 (0.42) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6225092 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6224563 0.77 CNR2 (0.42) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6222614 0.76 CNR2 (0.41) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6226018 0.76 TSHR (0.43) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6221652 0.74 CNR1 (0.44) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL6224031 0.74 CNR1 (0.42) PDE4APDE4BPDE4CPDE4DCNR2

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-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP claimed
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