SCHEMBL31409150

SCHEMBL31409150

C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)cc3C)c3c(N)ncnc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 20/20 1.00

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
SCHEMBL19181606 1.00 ERBB2 (1.00) ERBB2
SCHEMBL19181607 1.00 ERBB2 (1.00) ERBB2
SCHEMBL19181634 0.94 ERBB2 (1.00) ERBB2
SCHEMBL19181633 0.94 ERBB2 (1.00) ERBB2
SCHEMBL19181050 0.93 ERBB2 (1.00) ERBB2
SCHEMBL19181051 0.93 ERBB2 (1.00) ERBB2
SCHEMBL19182398 0.93 ERBB2 (1.00) ERBB2
SCHEMBL19182452 0.93 ERBB2 (1.00) ERBB2
SCHEMBL19181661 0.93 ERBB2 (1.00) ERBB2
SCHEMBL19182449 0.93 ERBB2 (1.00) ERBB2

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
EP-3845231-B1 THERAPEUTIC AGENT CONTAINING PYRAZOLO[3,4-D]PYRIMIDINE COMPOUND AS ACTIVE INGREDIENT TAIHO PHARMACEUTICAL CO LTD (JP) 2025-01-01 — — EP disclosed
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