SCHEMBL8795099

SCHEMBL8795099

CCNc1cc2ncnc(NCc3ccc(OCCCN(C)C)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AURKA O14965 2/20 0.44
EGFR P00533 6/20 0.43
PDGFRB P09619 1/20 0.42
RPS6KB1 P23443 1/20 0.41
ERBB2 P04626 2/20 0.41
HTT P42858 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CACNA1B Q00975 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL8795310 0.92 AURKA (0.44) MEN1KMT2AAURKAEGFRPDGFRB
SCHEMBL8796312 0.91 AURKA (0.49) AURKAEGFRPDGFRBRPS6KB1HTT
SCHEMBL8796051 0.90 MEN1 (0.43) MEN1KMT2AAURKAEGFRPDGFRB
SCHEMBL8795881 0.90 MEN1 (0.44) MEN1KMT2AAURKAEGFRPDGFRB
SCHEMBL8796500 0.88 MEN1 (0.46) MEN1KMT2AEGFRPDGFRBERBB2
SCHEMBL8825753 0.86 MEN1 (0.60) MEN1KMT2AEGFRHTTALDH1A1
SCHEMBL8796516 0.84 MAPK1 (0.47) EGFRPDGFRBHTTALDH1A1KDM4E
SCHEMBL8825757 0.84 KDM4E (0.51) MEN1KMT2AEGFRERBB2HTT
SCHEMBL8796096 0.84 RPS6KB1 (0.46) MEN1KMT2AAURKAEGFRPDGFRB
SCHEMBL8795890 0.83 PIK3CA (0.47) MEN1KMT2AAURKAEGFRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed