SCHEMBL254362

SCHEMBL254362

COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)N1CC2CCN(C)[C@H]2C1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.69
ERBB2 P04626 8/20 0.69
ERBB4 Q15303 3/20 0.69
GAK O14976 1/20 0.62
JAK3 P52333 2/20 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
SCHEMBL245873 1.00 EGFR (0.69) EGFRERBB2ERBB4GAKJAK3
SCHEMBL253552 1.00 EGFR (0.69) EGFRERBB2ERBB4GAKJAK3
SCHEMBL243454 1.00 EGFR (0.69) EGFRERBB2ERBB4GAKJAK3
SCHEMBL254450 0.91 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL253849 0.91 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL245219 0.91 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL242560 0.91 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL15064249 0.84 ERBB2 (0.64) EGFRERBB2ERBB4JAK3
SCHEMBL254281 0.84 ERBB2 (0.64) EGFRERBB2ERBB4JAK3
SCHEMBL251657 0.84 ERBB2 (0.64) EGFRERBB2ERBB4JAK3

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
WO-2012000182-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO claimed
WO-2012000182-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO disclosed