SCHEMBL5550802

SCHEMBL5550802

Fc1ccc(NN2CCCC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.51
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.45
PLA2G1B P04054 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
SHMT2 P34897 1/20 0.45
SLC2A1 P11166 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.42
NPC1 O15118 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
SCHEMBL5550024 0.98 MAPT (0.55) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL5550676 0.85 MAPT (0.46) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL27262053 0.85 LMNA (0.64) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL5550840 0.82 KMT2A (0.47) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL5551976 0.81 MAPT (0.46) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL5547460 0.79 ALOX5 (0.46) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL5550036 0.77 KMT2A (0.45) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL28111126 0.77 KMT2A (0.49) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL5546266 0.77 EGFR (0.46) MAPTHPGDKMT2ANPSR1MEN1
SCHEMBL8574843 0.76 MAPT (0.50) MAPTHPGDKMT2AMEN1ALDH1A1

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 3 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
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