SCHEMBL12838832

SCHEMBL12838832

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)C2CCCO2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.70
▸ ERBB2 P04626 5/20 0.68
▸ KDR P35968 2/20 0.59
▸ EPHB4 P54760 2/20 0.59
▸ EPHA2 P29317 1/20 0.59
▸ AURKA O14965 1/20 0.59
▸ INSR P06213 1/20 0.59
▸ FBP1 P09467 1/20 0.59
▸ PDGFRB P09619 1/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ CLK1 P49759 1/20 0.59
▸ TEK Q02763 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59

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
SCHEMBL1446721 1.00 EGFR (0.70) EGFRERBB2KDREPHB4EPHA2
SCHEMBL1446466 1.00 EGFR (0.70) EGFRERBB2KDREPHB4EPHA2
SCHEMBL15400466 0.90 EGFR (0.67) EGFRERBB2KDREPHB4EPHA2
SCHEMBL1447316 0.88 EGFR (0.72) EGFRERBB2KDREPHB4AURKA
SCHEMBL4466661 0.88 ERBB2 (0.71) EGFRERBB2
SCHEMBL4883905 0.87 ERBB2 (0.82) EGFRERBB2KDREPHB4AURKA
SCHEMBL1447161 0.87 EGFR (0.78) EGFRERBB2KDREPHB4EPHA2
SCHEMBL14489874 0.87 EGFR (0.80) EGFRERBB2KDREPHB4EPHA2
SCHEMBL1333601 0.87 EGFR (0.80) EGFRERBB2KDREPHB4EPHA2
SCHEMBL185479 0.87 EGFR (0.74) EGFRERBB2KDREPHB4EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298305-A1 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 — — EP disclosed
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