SCHEMBL6971728

SCHEMBL6971728

O=c1[nH]cnc2cc(OCCC3CCCN3)cc(N3CCOCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
SYK P43405 2/20 0.39
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
IP6K1 Q92551 3/20 0.35
IRAK4 Q9NWZ3 2/20 0.33
CHEK2 O96017 1/20 0.33
QPCT Q16769 1/20 0.33
F2 P00734 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL6975067 0.89 IP6K1 (0.35) CHRNB2CHRNA4SYKIP6K1CHEK2
SCHEMBL3275913 0.82 SRC (0.49) PIK3CDPIK3CAPIK3CBSYKSRC
SCHEMBL6978768 0.82 SRC (0.44) CHRNB2CHRNA4SRCKDRMKNK1
SCHEMBL16747710 0.81 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBSYKSRC
SCHEMBL16742355 0.76 HRH3 (0.42) SRC
SCHEMBL3364695 0.72 CHEK2 (0.46) IP6K1CHEK2
SCHEMBL3276361 0.71 DRD2 (0.43) SYKSRCKDRIP6K1
SCHEMBL7259617 0.71 SRC (0.36) CHRNB2CHRNA4SRCKDRMKNK1
SCHEMBL5678947 0.71 EGFR (0.36) SRCKDR
SCHEMBL3275663 0.71 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBSYKIP6K1

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-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO disclosed