SCHEMBL7496433

SCHEMBL7496433

CCOC(=O)CCCN(C)c1nc(NCc2ccc3c(c2)OCO3)c2cc(C#N)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.53
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
HPGD P15428 3/20 0.40
PPP1CA P62136 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7957262 0.93 PDE5A (0.51) PDE5AALDH1A1MAPTUSP2ALOX15
SCHEMBL7492944 0.92 PDE5A (0.51) PDE5AALDH1A1MAPTUSP2ALOX15
SCHEMBL7499157 0.92 PDE5A (0.55) PDE5AALDH1A1MAPTUSP2ALOX15
SCHEMBL7794605 0.92 PDE5A (0.56) PDE5AALDH1A1MEN1KMT2APDE4A
Hydrochloric Acid SCHEMBL7497607 0.88 PDE4A (0.53) PDE5AALDH1A1MAPTUSP2ALOX15
SCHEMBL7496427 0.88 PDE5A (0.38) PDE5A
SCHEMBL7502593 0.86 PDE5A (0.56) PDE5AALDH1A1MAPTUSP2ALOX15
SCHEMBL7499019 0.85 PDE5A (0.60) PDE5AALDH1A1MEN1KMT2APDE4A
SCHEMBL7500886 0.84 PDE5A (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7501353 0.84 PDE5A (0.56) PDE5A

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 4 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-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 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