SCHEMBL7496274

SCHEMBL7496274

Nc1cc(CNc2ncnc3ccc(Cl)cc23)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HTT P42858 3/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
EGFR P00533 3/20 0.55
NR2F2 P24468 1/20 0.55
CLK4 Q9HAZ1 2/20 0.55
CNR1 P21554 3/20 0.53
CNR2 P34972 3/20 0.53
USP10 Q14694 1/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
USP13 Q92995 1/20 0.52
MAPK1 P28482 1/20 0.52
PIK3CD O00329 1/20 0.52
PIK3R1 P27986 1/20 0.52
STAT1 P42224 1/20 0.52

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
SCHEMBL7500991 0.88 PDE5A (0.67) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13192093 0.86 EGFR (0.67) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9921508 0.85 HTT (0.74) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7500128 0.85 STAT1 (0.67) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7502866 0.84 STAT1 (0.66) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9921356 0.82 MEN1 (0.65) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8862837 0.81 PDE5A (0.64) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13192081 0.81 HTT (0.64) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9921364 0.80 LMNA (0.72) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7494226 0.80 PDE5A (0.57) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2

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-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