SCHEMBL5595281

SCHEMBL5595281

Clc1ccc2nc(Cn3ccnc3)nc(Nc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
TBXAS1 P24557 3/20 0.44
CYP19A1 P11511 5/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
QPCT Q16769 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
CYP2A6 P11509 1/20 0.43
CYP2B6 P20813 1/20 0.43
NPY5R Q15761 1/20 0.43
CYP17A1 P05093 1/20 0.40
TP53 P04637 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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 SCHEMBL7289549 0.99 PDE5A (0.49) PDE5ACYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL5595236 0.87 CSNK2A1 (0.49) TBXAS1KDM4E
Hydrochloric Acid SCHEMBL7277276 0.86 CSNK2A1 (0.48) PDE5ATBXAS1KDM4E
SCHEMBL5595125 0.85 PDE5A (0.69) PDE5ACYP11B1CYP11B2TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL7278512 0.84 PDE5A (0.69) PDE5ACYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL7605584 0.77 PDE5A (0.44) PDE5ACYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL5595291 0.71 EGFR (0.42) PDE5AMAPTNPY5RTP53KDM4E
Hydrochloric Acid SCHEMBL7289558 0.70 EGFR (0.41) PDE5AMAPTNPY5RTP53KDM4E
SCHEMBL5595499 0.70 PDE5A (0.65) PDE5ACYP11B1CYP11B2TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL7280328 0.69 PDE5A (0.63) PDE5ACYP11B1CYP11B2TBXAS1CYP19A1

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 6 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