SCHEMBL5550676

SCHEMBL5550676

Fc1ccc(NN2CCNCC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HPGD P15428 2/20 0.42
SLC2A1 P11166 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
BCL6 P41182 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
SCHEMBL5550802 0.85 MAPT (0.56) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL5550024 0.83 MAPT (0.55) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL27262053 0.81 LMNA (0.64) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL5550840 0.78 KMT2A (0.47) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL5547460 0.78 ALOX5 (0.46) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL5550785 0.77 HTR6 (0.53) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL2401394 0.75 MAPT (0.77) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL5551984 0.73 ALDH1A1 (0.47) KMT2AALDH1A1MEN1CYP3A4CYP2D6
SCHEMBL5550036 0.73 KMT2A (0.45) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL28111126 0.73 KMT2A (0.49) MAPTKMT2ALMNAALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
CN-1496364-A Substituted quinazoline derivatives and their use as inhibitors 2004-05-12 CN disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO disclosed