SCHEMBL5697190

SCHEMBL5697190

O=C(O)N1CCC[C@@H](Oc2cccc3ncnc(N=Nc4ccc(O)c(Cl)c4)c23)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.36
ERBB2 P04626 7/20 0.36
SRC P12931 3/20 0.36
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
PIK3CD O00329 1/20 0.34
SCN9A Q15858 1/20 0.34
KCNH2 Q12809 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL5697185 1.00 EGFR (0.36) EGFRERBB2SRCQPCTQPCTL
SCHEMBL4395377 0.81 EGFR (0.57) EGFRERBB2SRCKCNH2
SCHEMBL4394667 0.81 EGFR (0.57) EGFRERBB2SRCKCNH2
SCHEMBL5473521 0.71 EGFR (0.55) EGFRERBB2SRCKCNH2
SCHEMBL5474041 0.71 EGFR (0.55) EGFRERBB2SRCKCNH2
SCHEMBL4385173 0.69 ERBB2 (0.53) EGFRERBB2SRCKCNH2
SCHEMBL4387569 0.69 ERBB2 (0.53) EGFRERBB2SRCKCNH2
SCHEMBL4389707 0.68 ERBB2 (0.74) EGFRERBB2KCNH2
SCHEMBL4383098 0.68 ERBB2 (0.74) EGFRERBB2KCNH2
SCHEMBL5569332 0.66 EGFR (0.47) EGFRPIK3CDHCRTR1HCRTR2PDE10A

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-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed