SCHEMBL29927008

SCHEMBL29927008

Cc1c(CC(=O)N(C)C)ccc(NC(=O)c2nc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n3ccnc(N)c23)c1C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 8/20 0.48
▸ EGFR P00533 1/20 0.48
▸ TNK2 Q07912 1/20 0.45
▸ BTK Q06187 11/20 0.43

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
SCHEMBL29926565 0.88 ERBB2 (0.62) ERBB2EGFR
SCHEMBL29926730 0.79 ERBB2 (0.47) ERBB2EGFR
SCHEMBL29926876 0.76 ERBB2 (0.64) ERBB2EGFR
SCHEMBL28633843 0.75 TNK2 (0.60) TNK2BTK
SCHEMBL28643796 0.75 TNK2 (0.60) TNK2BTK
SCHEMBL28629640 0.75 ERBB2 (0.59) ERBB2EGFR
SCHEMBL28629639 0.75 ERBB2 (0.59) ERBB2EGFR
SCHEMBL29926332 0.74 ERBB2 (0.60) ERBB2
SCHEMBL18345263 0.74 TNK2 (0.60) TNK2BTK
SCHEMBL16748869 0.74 TNK2 (0.60) TNK2BTK

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
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
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