SCHEMBL7476089

SCHEMBL7476089

O=[N+]([O-])c1cc2c(N3CCNCC3c3ccc(F)cc3)ncnc2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.41
EGFR P00533 1/20 0.38
ACHE P22303 4/20 0.35
BACE1 P56817 4/20 0.35
PDE10A Q9Y233 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
NTRK1 P04629 1/20 0.33
AURKA O14965 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7465618 0.94 PDGFRB (0.42) PDGFRBEGFRACHEBACE1PDE10A
SCHEMBL7462862 0.89 PDGFRB (0.44) PDGFRBEGFRACHEBACE1PDE10A
SCHEMBL7470741 0.87 MAPT (0.42) ACHEBACE1PDE10ALMNACYP1A2
SCHEMBL7469954 0.84 PDGFRB (0.44) PDGFRBEGFRACHEBACE1LMNA
SCHEMBL7473072 0.83 MAPT (0.39) PDGFRBACHEBACE1LMNACYP1A2
SCHEMBL7474560 0.83 ACHE (0.47) PDGFRBACHEBACE1PDE10ACYP1A2
SCHEMBL7465661 0.77 ACHE (0.45) PDGFRBACHEBACE1PDE10ALMNA
SCHEMBL7469281 0.73 PDGFRB (0.51) PDGFRBACHEBACE1LMNA
SCHEMBL7465361 0.71 MAPT (0.43) ACHEBACE1LMNACYP1A2CYP3A4
SCHEMBL7460778 0.71 ACHE (0.51) PDGFRBACHEBACE1PDE10ACYP1A2

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed