SCHEMBL254281

SCHEMBL254281

COc1cc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2cc1NC(=O)N1CC2CCN(C)[C@H]2C1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.64
EGFR P00533 15/20 0.64
ERBB4 Q15303 11/20 0.61
JAK3 P52333 8/20 0.52

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
SCHEMBL15064249 1.00 ERBB2 (0.64) ERBB2EGFRERBB4JAK3
SCHEMBL251657 1.00 ERBB2 (0.64) ERBB2EGFRERBB4JAK3
SCHEMBL245873 0.84 EGFR (0.69) ERBB2EGFRERBB4JAK3
SCHEMBL253552 0.84 EGFR (0.69) ERBB2EGFRERBB4JAK3
SCHEMBL254362 0.84 EGFR (0.69) ERBB2EGFRERBB4JAK3
SCHEMBL243454 0.84 EGFR (0.69) ERBB2EGFRERBB4JAK3
SCHEMBL15085014 0.82 ERBB2 (0.72) ERBB2EGFRERBB4JAK3
SCHEMBL17498562 0.81 EGFR (0.78) ERBB2EGFRERBB4JAK3
SCHEMBL14671622 0.81 EGFR (0.67) ERBB2EGFRERBB4JAK3
SCHEMBL17498560 0.81 EGFR (0.78) ERBB2EGFRERBB4JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590966-A1 QUINAZOLINE COMPOUNDS Hutchison Medipharma Limited (CN) 2013-05-15 EP claimed
WO-2012000356-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO claimed
EP-2590966-A1 QUINAZOLINE COMPOUNDS Hutchison Medipharma Limited (CN) 2013-05-15 EP disclosed
WO-2012000356-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO disclosed
WO-2012000182-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO disclosed