SCHEMBL28923846

SCHEMBL28923846

C=CC(=O)N1CCC[C@@H](n2cc(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 18/20 0.75
▸ RET P07949 2/20 0.58

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
SCHEMBL28923847 1.00 ERBB2 (0.75) ERBB2RET
SCHEMBL28630035 0.91 ERBB2 (0.61) ERBB2RET
SCHEMBL28630026 0.91 ERBB2 (0.61) ERBB2RET
SCHEMBL29926821 0.87 RET (0.58) ERBB2RET
SCHEMBL28645350 0.86 ERBB2 (0.76) ERBB2
SCHEMBL28645353 0.86 ERBB2 (0.76) ERBB2
SCHEMBL19180977 0.85 ERBB2 (1.00) ERBB2
SCHEMBL19180975 0.85 ERBB2 (1.00) ERBB2
SCHEMBL28902625 0.82 RET (0.62) ERBB2RET
SCHEMBL29926832 0.82 RET (0.62) ERBB2RET

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-113336760-B Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2022-11-04 — — CN disclosed
CN-113336760-A Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2021-09-03 — — CN disclosed
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