SCHEMBL6647347

SCHEMBL6647347

COc1cc(OC2CCN(C)CC2)c2c(N(Cc3ccccn3)c3ccc4[nH]ccc4c3)ncnc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.43
KDR P35968 4/20 0.43
EGFR P00533 7/20 0.41
ERBB2 P04626 4/20 0.41
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6613788 0.91 SRC (0.47) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6618997 0.90 EGFR (0.49) SRCKDREGFRERBB2KCNH2
SCHEMBL6613963 0.88 EGFR (0.47) SRCKDREGFRERBB2SLC6A2
SCHEMBL6613784 0.88 SRC (0.43) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6614596 0.88 SRC (0.42) SRCKDREGFRERBB2SLC6A2
SCHEMBL6646965 0.87 SRC (0.46) SRCKDREGFRERBB2KCNH2
SCHEMBL6617287 0.86 SRC (0.46) SRCKDREGFRERBB2SLC6A2
SCHEMBL6612571 0.85 SRC (0.44) SRCKDREGFRERBB2KCNH2
SCHEMBL6617924 0.81 EGFR (0.46) SRCKDREGFRERBB2KCNH2
SCHEMBL6620697 0.80 SLC6A2 (0.42) SRCKDREGFRERBB2KCNH2

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-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed