SCHEMBL5400957

SCHEMBL5400957

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CCNC1(C(=O)NC(C)C)CNC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.60
ERBB2 P04626 1/20 0.56

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
SCHEMBL5025370 0.92 EGFR (0.60) EGFR
SCHEMBL5023520 0.91 EGFR (0.65) EGFR
Hydrochloric Acid SCHEMBL5023596 0.90 EGFR (0.65) EGFR
SCHEMBL5022859 0.84 EGFR (0.74) EGFR
SCHEMBL5023579 0.83 EGFR (0.73) EGFR
Hydrochloric Acid SCHEMBL5025496 0.81 EGFR (0.65) EGFR
SCHEMBL4447259 0.81 EGFR (0.60) EGFR
SCHEMBL6010031 0.81 EGFR (0.70) EGFR
SCHEMBL5549332 0.80 EGFR (0.82) EGFRERBB2
SCHEMBL4447108 0.79 EGFR (0.66) EGFR

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
JP-2007523072-A 2007-08-16 JP claimed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP claimed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO claimed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO disclosed