SCHEMBL30575796

SCHEMBL30575796

C=CC(=O)N1CCN(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)[C@H](C)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.51
ERBB2 P04626 13/20 0.51
NQO2 P16083 1/20 0.51
FECH P22830 1/20 0.51
MYH14 Q7Z406 1/20 0.51
RIPK3 Q9Y572 1/20 0.51

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
SCHEMBL25998955 1.00 EGFR (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL25430973 1.00 EGFR (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL30576013 1.00 EGFR (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL25432582 1.00 EGFR (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL25433602 0.93 ERBB2 (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL25431144 0.93 ERBB2 (0.51) EGFRERBB2NQO2FECHMYH14
SCHEMBL25431233 0.90 ERBB2 (0.48) EGFRERBB2NQO2FECHMYH14
SCHEMBL30575950 0.90 ERBB2 (0.48) EGFRERBB2NQO2FECHMYH14
SCHEMBL25431872 0.90 ERBB2 (0.48) EGFRERBB2NQO2FECHMYH14
SCHEMBL25430337 0.90 ERBB2 (0.50) EGFRERBB2NQO2FECHMYH14

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