SCHEMBL7464723

SCHEMBL7464723

O=C(Nc1ccccc1)N1CCC(Nc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.51
PAK1 Q13153 8/20 0.47
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 1/20 0.41
SERPINE1 P05121 1/20 0.41

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
SCHEMBL7468264 0.92 PAK1 (0.48) PDGFRBPAK1POLBKITPDGFRA
SCHEMBL7467225 0.91 PAK1 (0.46) PDGFRBPAK1MAPTPOLB
SCHEMBL7462115 0.90 PAK1 (0.58) PDGFRBPAK1KITPDGFRAFLT3
SCHEMBL7463135 0.89 CNR1 (0.53) PAK1MAPT
SCHEMBL7463150 0.85 CYP1A2 (0.41) PAK1MAPT
SCHEMBL7458931 0.83 NSD2 (0.56) MAPTNPSR1
SCHEMBL7470513 0.82 CNR1 (0.53) MAPT
SCHEMBL7469270 0.82 KMT2A (0.49) PAK1MAPTNPSR1
SCHEMBL7464718 0.80 CYP1A2 (0.37) MAPT
SCHEMBL7469276 0.80 MAPT (0.41) MAPT

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