SCHEMBL30425162

SCHEMBL30425162

C=CC(=O)N1C[C@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 20/20 1.00
▸ EGFR P00533 1/20 0.75

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
SCHEMBL22221967 1.00 ERBB2 (1.00) ERBB2EGFR
SCHEMBL24026373 1.00 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19182300 0.88 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19180965 0.87 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19180964 0.87 ERBB2 (1.00) ERBB2EGFR
SCHEMBL26245461 0.86 ERBB2 (0.76) ERBB2EGFR
SCHEMBL19181013 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL29434938 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL29926978 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19181012 0.85 ERBB2 (1.00) 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
CN-113271950-B Pyrimidine compound or salt thereof 大鹏药品工业株式会社 2024-04-30 — — CN disclosed
EP-4183395-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT Taiho Pharmaceutical Co., Ltd. (JP) 2023-05-24 — — EP disclosed
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