SCHEMBL8552603

SCHEMBL8552603

CCc1nn(-c2ccc(F)cc2)c2c1C(C)N(C)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.48
PDE4B Q07343 10/20 0.48
PDE4C Q08493 10/20 0.48
PDE4D Q08499 10/20 0.48
TP53 P04637 1/20 0.36
ABHD16A O95870 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL7484959 0.68 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL7376871 0.67 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL16726638 0.63 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DABHD16A
SCHEMBL7374330 0.63 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7380088 0.62 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL28150069 0.62 MAPT (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL14482912 0.62 MEN1 (0.47) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL15330859 0.62 MAPT (0.44) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL4521443 0.61 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL6795458 0.61 KHK (0.49) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738270-B1 DIHYDRO PYRAZOLOPYRROLES PFIZER (US) 1998-05-06 EP disclosed
US-5596013-A INHIBITORS OF PHOSPHODIESTERASE TYPE IV AND PRODUCTION OF TUMOR NECROSIS FACTOR PFIZER INC (US) 1997-01-21 US disclosed
US-5508300-A INHIBIT PHOSPHODIESTERASE AND PRODUCTION OF TUMOR NECROSIS FACTOR; TREATING INFLAMMATORY DISEASES PFIZER INC. (US) 1996-04-16 US disclosed