SCHEMBL30018005

SCHEMBL30018005

COc1cc2c(Nc3ccc(Oc4ccccc4C#N)cc3)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.81

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
SCHEMBL30378145 0.89 EGFR (1.00) EGFR
SCHEMBL21473613 0.89 EGFR (1.00) EGFR
SCHEMBL30016823 0.86 EGFR (0.87) EGFR
SCHEMBL28959187 0.86 EGFR (0.87) EGFR
SCHEMBL30017106 0.86 EGFR (0.79) EGFR
SCHEMBL14095984 0.86 EGFR (0.89) EGFR
SCHEMBL30891807 0.86 EGFR (0.89) EGFR
SCHEMBL21462325 0.84 EGFR (0.83) EGFR
SCHEMBL30017178 0.82 EGFR (0.80) EGFR
SCHEMBL30017520 0.82 SRC (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403557-A Quinoline and quinazoline compounds as fourth-generation EGFR (epidermal growth factor receptor) inhibitor and application thereof 华东理工大学 2022-11-29 CN disclosed