SCHEMBL8558855

SCHEMBL8558855

Cc1c(OC(=O)Nc2nnn[nH]2)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
PDE9A O76083 2/20 0.39
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MET P08581 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
CDK8 P49336 1/20 0.33
PRKX P51817 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33
ACVR1 Q04771 1/20 0.33
TYRO3 Q06418 1/20 0.33
PRKAA1 Q13131 1/20 0.33
DYRK1A Q13627 1/20 0.33
IKBKE Q14164 1/20 0.33

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
SCHEMBL8557418 0.82 PDE5A (0.49) PDE5APDE9AMEN1KMT2ACYP1A2
SCHEMBL8553369 0.78 PDE5A (0.45) PDE5APDE9ACHEK1DAPK3PRKD3
SCHEMBL8558977 0.73 PDE5A (0.38) PDE5APDE9ACHEK1DAPK3PRKD3
SCHEMBL31328139 0.73 PDE5A (0.52) PDE5APDE9ACHEK1DAPK3PRKD3
SCHEMBL7505355 0.73 PDE5A (0.52) PDE5APDE9ACHEK1DAPK3PRKD3
SCHEMBL7517883 0.72 PDE5A (0.48) PDE5APDE9ACHEK1DAPK3PRKD3
SCHEMBL7503779 0.71 CHEK1 (0.55) PDE5APDE9ACHEK1DAPK3PRKD3
SCHEMBL8557784 0.71 PDE5A (0.47) PDE5APDE9AMEN1KMT2ACYP1A2
SCHEMBL8554724 0.70 PDE5A (0.48) PDE5APDE9ACHEK1DAPK3PRKD3
SCHEMBL8557015 0.70 PDE9A (0.47) PDE5APDE9AMEN1KMT2ACYP1A2

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-0691970-B1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AG (DE) 1998-11-11 EP disclosed