SCHEMBL24569813

SCHEMBL24569813

Cc1cc(Nc2ncnc3ccc(N4CC/C(=C\CN(C)C)C4=O)nc23)ccc1Oc1ccc2c(c1)ncn2C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.52
EGFR P00533 10/20 0.52
ERBB3 P21860 1/20 0.34
ERBB4 Q15303 1/20 0.34

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
SCHEMBL29887989 1.00 ERBB2 (0.52) ERBB2EGFRERBB3ERBB4
SCHEMBL24569620 1.00 ERBB2 (0.52) ERBB2EGFRERBB3ERBB4
SCHEMBL29887758 1.00 ERBB2 (0.52) ERBB2EGFRERBB3ERBB4
SCHEMBL29888017 0.96 ERBB2 (0.49) ERBB2EGFR
SCHEMBL29888139 0.95 ERBB2 (0.47) ERBB2EGFRERBB3ERBB4
SCHEMBL24569471 0.94 ERBB2 (0.50) ERBB2EGFRERBB3ERBB4
SCHEMBL29888023 0.94 ERBB2 (0.50) ERBB2EGFRERBB3ERBB4
SCHEMBL24569327 0.93 EGFR (0.45) ERBB2EGFRERBB3ERBB4
SCHEMBL24569308 0.93 ERBB2 (0.45) ERBB2EGFR
SCHEMBL29887975 0.93 EGFR (0.45) ERBB2EGFRERBB3ERBB4

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