SCHEMBL16629294

SCHEMBL16629294

CN(C(=O)OC(C)(C)C)c1nn(C)c(C#N)c1Br

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL28624771 0.85
SCHEMBL15273567 0.79 HTR2C (0.35) CTSDCTSLCTSBCTSS
SCHEMBL15274043 0.77 SSTR4 (0.32)
SCHEMBL16629290 0.76
SCHEMBL16629272 0.72 MAPK14 (0.36) CTSBCTSS
SCHEMBL15273728 0.72 HSD11B1 (0.32)
SCHEMBL15885408 0.70 BRD4 (0.36)
SCHEMBL28624773 0.70 NCEH1 (0.38)
SCHEMBL16629274 0.69 BRD4 (0.34) CTSDCTSLCTSBCTSS
SCHEMBL15261301 0.69 HTR2C (0.34)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292496-B Synthetic method of Laratinib intermediate 安徽联创生物医药股份有限公司 2023-03-10 CN claimed
CN-113292496-A Synthetic method of Laolatinib intermediate 安徽联创生物医药股份有限公司 2021-08-24 CN claimed
CN-113292496-B Synthetic method of Laratinib intermediate 安徽联创生物医药股份有限公司 2023-03-10 CN disclosed
CN-113292496-B Synthetic method of Laratinib intermediate 安徽联创生物医药股份有限公司 2023-03-10 CN disclosed
CN-113292496-A Synthetic method of Laolatinib intermediate 安徽联创生物医药股份有限公司 2021-08-24 CN disclosed
CN-113292496-A Synthetic method of Laolatinib intermediate 安徽联创生物医药股份有限公司 2021-08-24 CN disclosed
WO-2015050989-A2 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES CS THERAPEUTICS INC. (US) 2015-04-09 WO disclosed