SCHEMBL29926340

SCHEMBL29926340

Cc1c(CC(=O)N(C)C)ccc(NC(=O)c2cc(C3CCCNC3)n3ncnc(N)c23)c1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 7/20 0.46
▸ ERBB2 P04626 9/20 0.43
▸ EGFR P00533 1/20 0.42
▸ BTK Q06187 1/20 0.39
▸ CSNK2A2 P19784 3/20 0.37
▸ CSNK2A1 P68400 3/20 0.37

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
SCHEMBL29926348 0.85 ERBB2 (0.45) ACVRL1ERBB2EGFRBTK
SCHEMBL29927002 0.85 ACVRL1 (0.46) ACVRL1ERBB2BTK
SCHEMBL29926737 0.84 ERBB2 (0.60) ERBB2EGFR
SCHEMBL29926730 0.83 ERBB2 (0.47) ERBB2EGFR
SCHEMBL29926948 0.76 ERBB2 (0.54) ERBB2EGFR
SCHEMBL28630028 0.76 ERBB2 (0.54) ERBB2EGFR
SCHEMBL28630033 0.76 ERBB2 (0.54) ERBB2EGFR
SCHEMBL30244942 0.73 ERBB2 (0.71) ERBB2EGFR
SCHEMBL29926876 0.71 ERBB2 (0.64) ERBB2EGFR
SCHEMBL29927100 0.69 ERBB2 (0.59) 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
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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