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Sugi Predict / Compounds / SCHEMBL5699326

SCHEMBL5699326

SCHEMBL5699326

Cc1ccc(Oc2ccc([AsH]c3ncnc4cccc(O[C@H](C)CN(C)C(=O)CN5CCN(C)CC5)c34)cc2C)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 18/20 0.47
▸ EGFR P00533 8/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ ERBB3 P21860 1/20 0.31
▸ ERBB4 Q15303 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL4481489 0.86 ERBB2 (0.66) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4478522 0.81 ERBB2 (0.68) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4472318 0.81 ERBB2 (0.68) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4474814 0.79 ERBB2 (0.72) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4469124 0.74 ERBB2 (0.75) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4474476 0.74 ERBB2 (0.75) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4469496 0.73 ERBB2 (0.73) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4485841 0.72 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4487725 0.72 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5637014 0.69 ERBB2 (0.77) ERBB2EGFRKCNH2ERBB3ERBB4

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-1685116-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-08-02 — — EP disclosed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 — — WO disclosed