SCHEMBL6017313

SCHEMBL6017313

CC(C)(C)C(=O)OCn1cnc2ccc(OC3CCN(C(C)(C)C)CC3)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.38
TNF P01375 1/20 0.38
CSF1R P07333 1/20 0.36
FLT3 P36888 1/20 0.36
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
ERBB2 P04626 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
MMP13 P45452 1/20 0.35
MCL1 Q07820 1/20 0.35
DRD2 P14416 1/20 0.35
DDR1 Q08345 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5565145 0.90 F10 (0.39) HRH3LMNACYP2D6TNFNEK2
SCHEMBL5569391 0.88 GPR119 (0.45) HRH3
SCHEMBL5565180 0.77 TNF (0.43) LMNATNFMMP13MCL1HTT
SCHEMBL9601170 0.77 TRPA1 (0.47) LMNATNFMAPTTHRBMCL1
SCHEMBL9252072 0.76 TNF (0.43) LMNATNFMMP13MCL1
SCHEMBL9253194 0.74 LMNA (0.43) LMNATNFMMP13MCL1
SCHEMBL6589975 0.73 SMN1; SMN2 (0.53) LMNAMAPTHTTNPSR1
SCHEMBL3280568 0.73 SRC (0.43) TNFNEK2PLK1
SCHEMBL13646422 0.72 TNF (0.56) LMNATNFMAPTMCL1HTT
SCHEMBL6017121 0.71 CHRM4 (0.45) HRH3CSF1RFLT3ERBB2

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-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed