SCHEMBL28447976

SCHEMBL28447976

CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC2CCOC2)C1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.74
ERBB2 P04626 1/20 0.62
RET P07949 1/20 0.62
MST1R Q04912 1/20 0.62
ERBB4 Q15303 1/20 0.62

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
SCHEMBL28447978 1.00 EGFR (0.74) EGFRERBB2RETMST1RERBB4
SCHEMBL28444356 0.96 EGFR (0.80) EGFR
SCHEMBL28444354 0.96 EGFR (0.80) EGFR
SCHEMBL28452004 0.92 EGFR (0.79) EGFR
SCHEMBL28452005 0.92 EGFR (0.79) EGFR
SCHEMBL17940128 0.91 EGFR (0.79) EGFRERBB2RETMST1RERBB4
SCHEMBL17940133 0.91 EGFR (0.79) EGFRERBB2RETMST1RERBB4
SCHEMBL17940131 0.91 EGFR (0.79) EGFRERBB2RETMST1RERBB4
SCHEMBL17940077 0.89 EGFR (0.92) EGFR
SCHEMBL17940078 0.89 EGFR (0.92) 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-107556295-B Quinazoline derivatives and process for their preparation 正大天晴药业集团股份有限公司 2020-09-04 CN disclosed