SCHEMBL8796541

SCHEMBL8796541

CCNc1cc2ncnc(NCc3ccccc3CN3CCN(Cc4ccccc4)CC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.47
PDGFRB P09619 1/20 0.47
NSD2 O96028 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8796008 0.93 EGFR (0.48) EGFRPDGFRBMAPK1KDM4EHPGD
SCHEMBL8796323 0.92 EGFR (0.48) EGFRPDGFRBMAPK1KDM4EHPGD
SCHEMBL8795810 0.92 EGFR (0.49) EGFRPDGFRBMAPK1KDM4EMAPT
SCHEMBL8796409 0.92 PDGFRB (0.49) EGFRPDGFRBMAPK1MAPTRAB9A
SCHEMBL8796375 0.91 EGFR (0.48) EGFRPDGFRBMAPK1KDM4EMAPT
SCHEMBL8796308 0.90 EGFR (0.47) EGFRPDGFRBMAPK1KDM4EMAPT
SCHEMBL8796457 0.89 PDGFRB (0.46) EGFRPDGFRBACHEMAPK1KDM4E
SCHEMBL8795620 0.89 EGFR (0.45) EGFRPDGFRBMAPK1MAPTHPGD
SCHEMBL8795701 0.89 PDE5A (0.49) MAPK1KDM4EPKMLMNAHTT
SCHEMBL8796694 0.88 PDGFRB (0.46) EGFRPDGFRBMAPK1KDM4EMAPT

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