SCHEMBL6656941

SCHEMBL6656941

CN1CCC(Oc2cccc3ncnc(N(Cc4cscn4)c4ccc5[nH]ccc5c4)c23)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.50
ERBB2 P04626 4/20 0.39
KCNH2 Q12809 4/20 0.38
SRC P12931 4/20 0.38
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
KDR P35968 2/20 0.32
SCN5A Q14524 4/20 0.32
SCN9A Q15858 4/20 0.32
PIK3CD O00329 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 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
SCHEMBL6614596 0.89 SRC (0.42) EGFRERBB2SRCKDRSLC6A2
SCHEMBL6621126 0.89 EGFR (0.40) EGFRERBB2KCNH2SRCHTR1A
SCHEMBL6618997 0.88 EGFR (0.49) EGFRERBB2KCNH2SRCHTR1A
SCHEMBL6620697 0.87 SLC6A2 (0.42) EGFRERBB2KCNH2SRCHTR1A
SCHEMBL6619064 0.86 EGFR (0.45) EGFRERBB2KCNH2SRCHTR1A
SCHEMBL6617924 0.85 EGFR (0.46) EGFRERBB2KCNH2SRCKDR
SCHEMBL6619989 0.84 EGFR (0.46) EGFRERBB2KCNH2SRCKDR
SCHEMBL6616348 0.84 EGFR (0.49) EGFRERBB2KCNH2SRCHTR1A
SCHEMBL6616828 0.84 EGFR (0.46) EGFRERBB2KCNH2SRCKDR
SCHEMBL6621804 0.84 ERBB2 (0.41) EGFRERBB2KCNH2SRCHTR1A

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-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