SCHEMBL7496355

SCHEMBL7496355

COc1cc2nc(Cl)nc(NCc3ccc4c(c3)OCO4)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
PDE2A O00408 1/20 0.58
PDE1A P54750 1/20 0.58
PDE1B Q01064 1/20 0.58
PDE1C Q14123 1/20 0.58
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 3/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CLK4 Q9HAZ1 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL7503243 0.91 PDE5A (0.59) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL7491208 0.86 PDE5A (0.71) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL7500246 0.85 PDE5A (0.76) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL7501078 0.83 PDE5A (1.00) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL4924574 0.82 PDE5A (0.72) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL3114782 0.81 PDE5A (0.67) PDE5AMEN1KMT2AALDH1A1MAPK1
SCHEMBL3122316 0.81 HTT (0.66) PDE5AMEN1KMT2AALDH1A1MAPK1
SCHEMBL3112150 0.81 MEN1 (0.66) PDE5AMEN1KMT2AALDH1A1MAPK1
SCHEMBL7420737 0.80 PDE5A (0.54) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL3641721 0.80 EGFR (0.65) MEN1KMT2AALDH1A1MAPK1HTT

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-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-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