SCHEMBL253849

SCHEMBL253849

CN1CCC2CN(C(=O)Nc3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)C[C@@H]21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.68
ERBB2 P04626 15/20 0.68
ERBB4 Q15303 2/20 0.63

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
SCHEMBL254450 1.00 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL245219 1.00 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL242560 1.00 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL245873 0.91 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL243454 0.91 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL254362 0.91 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL253552 0.91 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL3325797 0.81 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL2253765 0.80 EGFR (0.86) EGFRERBB2ERBB4
SCHEMBL18387769 0.79 EGFR (1.00) EGFRERBB2ERBB4

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