SCHEMBL29926348

SCHEMBL29926348

Cc1c(CC(=O)N(C)C)ccc(NC(=O)c2nc([C@@H]3CCCNC3)n3ncnc(N)c23)c1C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 15/20 0.45
▸ EGFR P00533 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ ACVRL1 P37023 4/20 0.38

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
SCHEMBL29926340 0.85 ACVRL1 (0.46) ERBB2EGFRBTKACVRL1
SCHEMBL29926876 0.84 ERBB2 (0.64) ERBB2EGFR
SCHEMBL30244942 0.76 ERBB2 (0.71) ERBB2EGFR
SCHEMBL28630033 0.73 ERBB2 (0.54) ERBB2EGFR
SCHEMBL28630028 0.73 ERBB2 (0.54) ERBB2EGFR
SCHEMBL29926948 0.73 ERBB2 (0.54) ERBB2EGFR
SCHEMBL29926737 0.71 ERBB2 (0.60) ERBB2EGFR
SCHEMBL29926565 0.71 ERBB2 (0.62) ERBB2EGFR
SCHEMBL29926730 0.70 ERBB2 (0.47) ERBB2EGFR
SCHEMBL29927002 0.70 ACVRL1 (0.46) ERBB2BTKACVRL1

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
Send feedback