SCHEMBL27645558

SCHEMBL27645558

CC(=O)N1CCC(c2ccc3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.54
ERBB2 P04626 13/20 0.54
LCK P06239 1/20 0.54
EPHA2 P29317 2/20 0.45
KDR P35968 2/20 0.45

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
SCHEMBL27645582 0.90 ERBB2 (0.68) EGFRERBB2LCK
SCHEMBL5564136 0.89 EGFR (0.61) EGFRERBB2LCK
SCHEMBL30126660 0.85 EGFR (0.49) EGFRERBB2LCKEPHA2KDR
SCHEMBL30125772 0.85 EGFR (0.49) EGFRERBB2LCKEPHA2KDR
SCHEMBL30126610 0.85 EGFR (0.49) EGFRERBB2LCKEPHA2KDR
SCHEMBL30127111 0.85 EGFR (0.49) EGFRERBB2LCKEPHA2KDR
SCHEMBL30126547 0.84 EGFR (0.58) EGFRERBB2LCK
SCHEMBL30127204 0.84 EGFR (0.58) EGFRERBB2LCK
SCHEMBL30126766 0.84 EGFR (0.58) EGFRERBB2LCK
SCHEMBL5564700 0.84 EGFR (0.69) EGFRERBB2EPHA2KDR

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
CN-1882573-A Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-12-20 CN claimed
CN-1882573-A Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-12-20 CN disclosed