SCHEMBL15928199

SCHEMBL15928199

O=C(/C=C/CN1CCCC1)N1CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 12/20 1.00

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
SCHEMBL15928168 0.99 EGFR (1.00) EGFRERBB2
SCHEMBL15928176 0.96 EGFR (1.00) EGFRERBB2
SCHEMBL15928187 0.96 EGFR (0.99) EGFRERBB2
SCHEMBL15928146 0.95 EGFR (1.00) EGFRERBB2
SCHEMBL15928147 0.94 EGFR (1.00) EGFRERBB2
SCHEMBL15928229 0.92 EGFR (1.00) EGFRERBB2
SCHEMBL15928225 0.92 EGFR (0.92) EGFRERBB2
SCHEMBL15928226 0.91 EGFR (0.92) EGFRERBB2
SCHEMBL15928083 0.90 EGFR (0.83) EGFRERBB2
SCHEMBL15928178 0.90 EGFR (0.92) EGFRERBB2

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
WO-2014117698-A1 TRICYCLIC DERIVATIVE CONTAINING QUINAZOLINE STRUCTURE, PREPARATION METHOD AND USE THEREOF 江苏奥赛康药业股份有限公司 (CN) 2014-08-07 WO disclosed