SCHEMBL5734738

SCHEMBL5734738

COc1cc(OCC(O)C(=O)[C@H]2C[C@H](O)CN2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.57
ERBB2 P04626 1/20 0.44
ERBB4 Q15303 1/20 0.44

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
SCHEMBL5734154 1.00 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL3523730 0.84 EGFR (0.62) EGFRERBB2
SCHEMBL3522474 0.84 EGFR (0.62) EGFRERBB2
SCHEMBL3522698 0.84 EGFR (0.62) EGFRERBB2
SCHEMBL3526179 0.84 EGFR (0.62) EGFRERBB2
SCHEMBL5745419 0.84 EGFR (0.62) EGFRERBB2
SCHEMBL5734606 0.84 EGFR (0.62) EGFRERBB2
SCHEMBL3525104 0.76 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL3522241 0.76 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL4725548 0.76 EGFR (0.63) 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
EP-1622620-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096226-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-11-11 WO disclosed