SCHEMBL5595291

SCHEMBL5595291

Clc1ccc2nc(Cc3ncc[nH]3)nc(Nc3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
NPY5R Q15761 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
PAK4 O96013 1/20 0.38
TP53 P04637 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PDE5A O76074 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL7289558 0.99 EGFR (0.41) EGFRTAAR1NPY5RABCG2ADRA2A
SCHEMBL5595244 0.87 CSNK2A1 (0.47) ABCG2KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7277289 0.86 CSNK2A1 (0.46) ABCG2KDM4EMEN1KMT2A
SCHEMBL5595129 0.85 PDE5A (0.52) TAAR1PIK3CDPIK3R1KDM4EPDE5A
Hydrochloric Acid SCHEMBL7278529 0.84 PDE5A (0.53) TAAR1PIK3CDPIK3R1KDM4EPDE5A
SCHEMBL5595281 0.71 PDE5A (0.48) NPY5RTP53KDM4EPDE5AMAPT
Hydrochloric Acid SCHEMBL7289549 0.70 PDE5A (0.49) NPY5RTP53PDE5AMAPT
SCHEMBL7782817 0.70 RAD52 (0.53) EGFRTAAR1KDM4EMAPK1HTT
SCHEMBL8870666 0.69 EGFR (0.81) EGFRABCG2KDM4EMAPK1HTT
SCHEMBL12786719 0.67 ABCG2 (0.60) NPY5RABCG2KDM4EPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP claimed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US disclosed
US-20040214831-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2004-10-28 US disclosed
US-20010055570-A1 Cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDEs); using specified pyrazolopyrimidinone or aminoquinazoline derivatives NAEF RETO (CH) 2001-12-27 US disclosed
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed