SCHEMBL24569327

SCHEMBL24569327

CN(C)C/C=C1\CCN(c2ccc3ncnc(Nc4ccc(Oc5ccc6c(c5)ncn6C)c(Cl)c4)c3n2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.45
ERBB2 P04626 13/20 0.45
ERBB3 P21860 4/20 0.39
ERBB4 Q15303 4/20 0.39

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
SCHEMBL29887975 1.00 EGFR (0.45) EGFRERBB2ERBB3ERBB4
SCHEMBL29887758 0.93 ERBB2 (0.52) EGFRERBB2ERBB3ERBB4
SCHEMBL29887989 0.93 ERBB2 (0.52) EGFRERBB2ERBB3ERBB4
SCHEMBL24569813 0.93 ERBB2 (0.52) EGFRERBB2ERBB3ERBB4
SCHEMBL24569620 0.93 ERBB2 (0.52) EGFRERBB2ERBB3ERBB4
SCHEMBL24569308 0.92 ERBB2 (0.45) EGFRERBB2
SCHEMBL29888029 0.92 ERBB2 (0.45) EGFRERBB2
SCHEMBL24569300 0.91 EGFR (0.42) EGFRERBB2ERBB4
SCHEMBL29888017 0.90 ERBB2 (0.49) EGFRERBB2
SCHEMBL29888139 0.89 ERBB2 (0.47) EGFRERBB2ERBB3ERBB4

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-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed