SCHEMBL8796308

SCHEMBL8796308

CCNc1cc2ncnc(NCc3ccccc3CN3CCOCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.47
PDGFRB P09619 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 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
SCHEMBL8795810 0.92 EGFR (0.49) EGFRPDGFRBL3MBTL1POLBMCL1
SCHEMBL8796375 0.91 EGFR (0.48) EGFRPDGFRBL3MBTL1POLBMCL1
SCHEMBL8796008 0.91 EGFR (0.48) EGFRPDGFRBL3MBTL1POLBALDH1A1
SCHEMBL8796323 0.90 EGFR (0.48) EGFRPDGFRBL3MBTL1POLBALDH1A1
SCHEMBL8796409 0.90 PDGFRB (0.49) EGFRPDGFRBL3MBTL1POLBSMN1; SMN2
SCHEMBL8796541 0.90 EGFR (0.47) EGFRPDGFRBALDH1A1MAPK1MAPT
SCHEMBL7519162 0.89 CYP1A2 (0.47) EGFRPDGFRBALDH1A1USP2CYP1A2
SCHEMBL7514367 0.89 MAPT (0.48) EGFRPDGFRBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8796603 0.89 LMNA (0.44) EGFRPDGFRBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8796758 0.88 AURKA (0.44) EGFRPDGFRBL3MBTL1POLBMCL1

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