SCHEMBL7462115

SCHEMBL7462115

COc1ccc(NC(=O)N2CCC(Nc3ncnc4cc(N5CCNCC5)c([N+](=O)[O-])cc34)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 6/20 0.58
PDGFRB P09619 11/20 0.49
KIT P10721 2/20 0.48
PDGFRA P16234 2/20 0.48
FLT3 P36888 2/20 0.48
ALDH1A1 P00352 1/20 0.46
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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 0.90 PAK1 (0.48) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL7464723 0.90 PDGFRB (0.51) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL7458947 0.84 CCR6 (0.46)
SCHEMBL7467371 0.84 NSD2 (0.53)
SCHEMBL7467225 0.82 PAK1 (0.46) PAK1PDGFRBALDH1A1
SCHEMBL7462111 0.82 CYP1A2 (0.40) PAK1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL7463135 0.81 CNR1 (0.53) PAK1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL7463150 0.78 CYP1A2 (0.41) PAK1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL7469270 0.78 KMT2A (0.49) PAK1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL7459198 0.77 MEN1 (0.53) ALDH1A1

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