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Sugi Predict / Compounds / SCHEMBL29888017

SCHEMBL29888017

SCHEMBL29888017

[2H]C([2H])([2H])N(C/C=C1\CCN(c2ccc3ncnc(Nc4ccc(Oc5ccc6c(c5)ncn6C)c(C)c4)c3n2)C1=O)C([2H])([2H])[2H]

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 14/20 0.49
▸ EGFR P00533 11/20 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
SCHEMBL29888157 0.97 ERBB2 (0.46) ERBB2EGFR
SCHEMBL29887758 0.96 ERBB2 (0.52) ERBB2EGFR
SCHEMBL24569620 0.96 ERBB2 (0.52) ERBB2EGFR
SCHEMBL24569813 0.96 ERBB2 (0.52) ERBB2EGFR
SCHEMBL29887989 0.96 ERBB2 (0.52) ERBB2EGFR
SCHEMBL29888139 0.94 ERBB2 (0.47) ERBB2EGFR
SCHEMBL24569471 0.90 ERBB2 (0.50) ERBB2EGFR
SCHEMBL29888023 0.90 ERBB2 (0.50) ERBB2EGFR
SCHEMBL24569327 0.90 EGFR (0.45) ERBB2EGFR
SCHEMBL24569308 0.90 ERBB2 (0.45) ERBB2EGFR

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-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 — — EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed