SCHEMBL6614596

SCHEMBL6614596

COc1cc(OC2CCN(C)CC2)c2c(N(Cc3cscn3)c3ccc4[nH]ccc4c3)ncnc2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.42
KDR P35968 7/20 0.41
EGFR P00533 6/20 0.41
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ERBB2 P04626 1/20 0.32

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
SCHEMBL6656941 0.89 EGFR (0.50) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6647347 0.88 SRC (0.43) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6613784 0.87 SRC (0.43) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6613788 0.87 SRC (0.47) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6613963 0.84 EGFR (0.47) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6617287 0.84 SRC (0.46) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6621126 0.79 EGFR (0.40) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6617924 0.77 EGFR (0.46) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6618997 0.77 EGFR (0.49) SRCKDREGFRSLC6A2SLC6A4
SCHEMBL6620697 0.76 SLC6A2 (0.42) SRCKDREGFRSLC6A2SLC6A4

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