SCHEMBL6616348

SCHEMBL6616348

CN1CCC(Oc2cccc3ncnc(N(Cc4cccc(F)c4)c4ccc5[nH]ccc5c4)c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.49
ERBB2 P04626 4/20 0.49
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 6/20 0.46
SRC P12931 3/20 0.39
KCNH2 Q12809 1/20 0.37
MAP4K4 O95819 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KDR P35968 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
SCHEMBL6620697 0.92 SLC6A2 (0.42) EGFRERBB2SLC6A2SLC6A4SLC6A3
SCHEMBL6617287 0.91 SRC (0.46) EGFRERBB2SLC6A2SLC6A4SLC6A3
SCHEMBL6619064 0.89 EGFR (0.45) EGFRERBB2SLC6A2SLC6A4SLC6A3
SCHEMBL6616351 0.89 EGFR (0.51) EGFRERBB2SLC6A2SLC6A4SLC6A3
SCHEMBL6619989 0.88 EGFR (0.46) EGFRERBB2SLC6A2SLC6A4SLC6A3
SCHEMBL6618997 0.86 EGFR (0.49) EGFRERBB2SLC6A2SLC6A4SLC6A3
SCHEMBL6617924 0.86 EGFR (0.46) EGFRERBB2SLC6A2SLC6A4SLC6A3
SCHEMBL6616828 0.85 EGFR (0.46) EGFRERBB2SRCKCNH2KDR
SCHEMBL6621804 0.85 ERBB2 (0.41) EGFRERBB2SLC6A2SLC6A4SLC6A3
SCHEMBL6656941 0.84 EGFR (0.50) EGFRERBB2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP claimed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO claimed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed