SCHEMBL8795306

SCHEMBL8795306

CCNc1cc2ncnc(NCc3ccc(OCCN4CCN(CC)CC4)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RPS6KB1 P23443 5/20 0.41
EGFR P00533 5/20 0.40
PIK3CA P42336 1/20 0.40
AURKA O14965 4/20 0.39
AURKB Q96GD4 2/20 0.39
PDPK1 O15530 1/20 0.39
ERBB2 P04626 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8796483 0.95 PDGFRB (0.45) PDGFRBMEN1KMT2ARPS6KB1EGFR
SCHEMBL8796096 0.94 RPS6KB1 (0.46) PDGFRBMEN1KMT2ARPS6KB1EGFR
SCHEMBL8796525 0.94 PDGFRB (0.46) PDGFRBMEN1KMT2ARPS6KB1EGFR
SCHEMBL8795890 0.93 PIK3CA (0.47) PDGFRBMEN1KMT2ARPS6KB1EGFR
SCHEMBL8796031 0.92 AURKA (0.48) PDGFRBMEN1KMT2ARPS6KB1EGFR
SCHEMBL8827440 0.91 PDGFRB (0.44) PDGFRBMEN1KMT2ARPS6KB1EGFR
SCHEMBL8795496 0.88 AURKA (0.49) PDGFRBRPS6KB1EGFRAURKAAURKB
SCHEMBL8795542 0.87 AURKA (0.47) PDGFRBRPS6KB1EGFRAURKAAURKB
SCHEMBL8796500 0.85 MEN1 (0.46) PDGFRBMEN1KMT2AEGFRERBB2
SCHEMBL8796055 0.85 RPS6KB1 (0.47) PDGFRBMEN1KMT2ARPS6KB1EGFR

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-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-0591333-B1 AZANORBORNANE DERIVATIVES PFIZER (US) 1997-03-05 EP disclosed
EP-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed
US-5604252-A Azanorbornane derivatives PFIZER INC. (US) 1997-02-18 US disclosed
EP-0591333-A1 AZANORBORNANE DERIVATIVES. PFIZER (US) 1994-04-13 EP disclosed
WO-1993000330-A2 AZANORBORNANE DERIVATIVES PFIZER INC. (US) 1993-01-07 WO disclosed