SCHEMBL8019648

SCHEMBL8019648

NC(=O)Cc1nc(NCc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.63
PDE4B Q07343 2/20 0.63
PDE4C Q08493 2/20 0.63
PDE4D Q08499 2/20 0.63
PDE5A O76074 10/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PDE2A O00408 1/20 0.60
PDE1A P54750 1/20 0.60
PDE1B Q01064 1/20 0.60
PDE1C Q14123 1/20 0.60
ACHE P22303 2/20 0.51
CLK4 Q9HAZ1 2/20 0.50
POLB P06746 1/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL8012444 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7502657 0.86 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7797436 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7495616 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL27452410 0.83 PDE5A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7503857 0.83 PDE5A (0.69) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7493587 0.83 PDE5A (0.69) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4924574 0.82 PDE5A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL27399898 0.82 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7493530 0.82 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE5A

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
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