SCHEMBL7468976

SCHEMBL7468976

O=CN1CCN(c2ncnc3cc(Cl)c([N+](=O)[O-])cc23)CC1.c1cc2ccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 10/20 0.56
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.41
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL7462263 0.84 PDGFRB (0.64) PDGFRBACHEBACE1LMNACYP1A2
SCHEMBL7473621 0.80 PDGFRB (0.60) PDGFRBACHEBACE1LMNAALDH1A1
SCHEMBL7473557 0.79 PDGFRB (0.59) PDGFRBACHEBACE1LMNAUSP2
SCHEMBL7973030 0.79 PDGFRB (0.66) PDGFRBACHEBACE1KITPDGFRA
SCHEMBL7468972 0.78 PDGFRB (0.68) PDGFRBACHEBACE1ALDH1A1KIT
SCHEMBL7469281 0.76 PDGFRB (0.51) PDGFRBACHEBACE1LMNAUSP2
SCHEMBL2922036 0.73 PDGFRB (0.59) PDGFRBACHEBACE1LMNAALDH1A1
SCHEMBL2922917 0.73 PDGFRB (0.73) PDGFRBKITPDGFRA
SCHEMBL2915899 0.72 PDGFRB (1.00) PDGFRBKITPDGFRAFLT3
SCHEMBL30275314 0.70 EGFR (0.54) PDGFRBLMNACYP3A4ALDH1A1TSHR

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