SCHEMBL7494736

SCHEMBL7494736

COc1ccc2nc(COCc3ccccc3)nc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.63
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
LMNA P02545 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP2C9 P11712 3/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TBXAS1 P24557 2/20 0.48

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
SCHEMBL7498013 0.86 PDE5A (0.67) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL7495450 0.86 PDE5A (0.68) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL8667966 0.85 PDE5A (0.58) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL7497088 0.83 PDE5A (0.72) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL7491208 0.82 PDE5A (0.71) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL7491171 0.82 PDE5A (0.71) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL7504937 0.80 PDE5A (0.68) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL7500789 0.79 PDE5A (0.67) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL7495967 0.79 PDE5A (0.67) PDE5AMEN1KMT2AALDH1A1HPGD
SCHEMBL7502177 0.78 PDE5A (0.68) PDE5AMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed
CN-1071164-A Nitrogen-containing heterocycle compound EISAI CO LTD (JP) 1993-04-21 CN disclosed