SCHEMBL7611752

SCHEMBL7611752

O=[N+]([O-])c1cccc(CNc2nc(-n3cncn3)nc3sccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
EGFR P00533 2/20 0.43
VCP P55072 1/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
KCNN3 Q9UGI6 1/20 0.41
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
LMNA P02545 1/20 0.37

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
SCHEMBL7613298 0.87 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5122242 0.86 PDE5A (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5122505 0.85 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5128786 0.85 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7619727 0.85 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5121701 0.84 MAPT (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5118421 0.84 PDE5A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5120854 0.83 PDE5A (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5119048 0.82 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5123615 0.81 KCNN3 (0.42) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed