SCHEMBL8796375

SCHEMBL8796375

CCNc1cc2ncnc(NCc3ccccc3CN3CCCCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.48
PDGFRB P09619 1/20 0.46
PIK3CA P42336 1/20 0.44
MAPT P10636 2/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL8795810 0.99 EGFR (0.49) EGFRPDGFRBPIK3CAMAPTCACNB4
SCHEMBL8796008 0.93 EGFR (0.48) EGFRPDGFRBMAPK1HTTKDM4E
SCHEMBL8795620 0.92 EGFR (0.45) EGFRPDGFRBPIK3CAMAPTMAPK1
SCHEMBL8796323 0.92 EGFR (0.48) EGFRPDGFRBPIK3CAMAPK1HTT
SCHEMBL8796308 0.91 EGFR (0.47) EGFRPDGFRBMAPTMAPK1KDM4E
SCHEMBL8796541 0.91 EGFR (0.47) EGFRPDGFRBMAPTMAPK1HTT
SCHEMBL8796409 0.90 PDGFRB (0.49) EGFRPDGFRBMAPTMAPK1HTT
SCHEMBL7530560 0.89 EGFR (0.48) EGFRPDGFRBPIK3CAMAPTMAPK1
SCHEMBL7526254 0.89 EGFR (0.48) EGFRPDGFRBPIK3CAMAPTMAPK1
SCHEMBL7527697 0.89 EGFR (0.48) EGFRPDGFRBPIK3CAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698560-A TREATMENT OF CARDIOVASCULAR DISORDERS; ANTICOAGULANTS; CARDIOTONIC AGENTS; HYPOTENSIVE AGENTS; ARTERIOSCLEROSIS; CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-16 US disclosed
EP-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed