SCHEMBL30576154

SCHEMBL30576154

C=CC(=O)N1CCC[C@H](Nc2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.52
EGFR P00533 11/20 0.52
NQO2 P16083 1/20 0.49
FECH P22830 1/20 0.49
MYH14 Q7Z406 1/20 0.49
RIPK3 Q9Y572 1/20 0.49

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
SCHEMBL25432021 1.00 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30576017 1.00 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25432530 1.00 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25433207 1.00 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25429898 0.96 EGFR (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30576000 0.96 EGFR (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30575883 0.96 EGFR (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25999306 0.96 EGFR (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25430108 0.93 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25430364 0.93 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14

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-4476211-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2024-12-18 EP disclosed
WO-2023154124-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed