SCHEMBL6993095

SCHEMBL6993095

COc1cc(-c2ccc(OC)c(OC)c2)ccc1C=Cc1nc(NCC2CCCC(CN)C2)c2ccc(Cl)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSK P41240 1/20 0.41
BTK Q06187 1/20 0.41
ERBB4 Q15303 1/20 0.41
CAMK1G Q96NX5 1/20 0.41
FLT3 P36888 4/20 0.39
CYP1A2 P05177 2/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
CYP3A4 P08684 1/20 0.37
SYK P43405 1/20 0.36
STAT1 P42224 1/20 0.36
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP1 P22413 1/20 0.34
GAK O14976 1/20 0.34

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
SCHEMBL3537418 0.87 FLT3 (0.44) CSKBTKERBB4CAMK1GFLT3
SCHEMBL3537420 0.87 FLT3 (0.44) CSKBTKERBB4CAMK1GFLT3
SCHEMBL3538983 0.85 FLT3 (0.54) FLT3
SCHEMBL3538985 0.85 FLT3 (0.54) FLT3
SCHEMBL3537697 0.81 FLT3 (0.41) FLT3
SCHEMBL3537700 0.81 FLT3 (0.41) FLT3
SCHEMBL3544717 0.80 FLT3 (0.45) FLT3
SCHEMBL3544714 0.80 FLT3 (0.45) FLT3
SCHEMBL3541297 0.80 FLT3 (0.40) FLT3MEN1KMT2A
SCHEMBL3541295 0.80 FLT3 (0.40) FLT3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed