SCHEMBL8825848

SCHEMBL8825848

CCNc1cc2ncnc(NCc3ccncc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.50
ERBB2 P04626 2/20 0.43
PDE5A O76074 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
PDGFRB P09619 1/20 0.42
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8825839 0.90 EGFR (0.62) EGFRKDM4EHTTLMNAHPGD
SCHEMBL8825901 0.90 MAPK1 (0.44) EGFRPDE5AHTTLMNAPDGFRB
SCHEMBL8825884 0.89 ALDH1A1 (0.55) EGFRERBB2KDM4EHTTLMNA
SCHEMBL7524564 0.89 EGFR (0.50) EGFRERBB2KDM4EHTTPDGFRB
SCHEMBL8795709 0.88 EGFR (0.49) EGFRERBB2PDE5AKDM4EHTT
SCHEMBL8825554 0.88 EGFR (0.57) EGFRERBB2KDM4EHTTLMNA
SCHEMBL8825977 0.88 MAPK1 (0.55) EGFRERBB2HTTLMNA
SCHEMBL8825743 0.88 HTT (0.55) EGFRKDM4EHTTLMNAHPGD
SCHEMBL7521999 0.88 EGFR (0.50) EGFRERBB2KDM4EHTTPDGFRB
SCHEMBL8795238 0.87 EGFR (0.47) EGFRERBB2KDM4EHTTPDGFRB

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-5661147-A CYCLIC GUANOSINE MONOPHOSPHATE-SPECIFIC PHOSPHODIESTERASE INHIBITOR; TREATING CARDIOVASCULAR DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-08-26 US disclosed
EP-0668280-A1 IMIDAZOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-08-23 EP disclosed