SCHEMBL28629690

SCHEMBL28629690

Cc1cc(Br)nc(Nc2cc(C)n(C(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SYK P43405 2/20 0.35
FAAH O00519 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
TSHR P16473 1/20 0.31
IGF1R P08069 1/20 0.30
ELANE P08246 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
SCHEMBL13024386 0.76 FAAH (0.39) MEN1KMT2AFAAHTSHRELANE
SCHEMBL4015445 0.75 MAPT (0.37) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL6343558 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL30453246 0.74 RET (0.37) SYK
SCHEMBL18297103 0.74 MAPT (0.39) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL6346868 0.73 LMNA (0.38) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL14632793 0.73 TSHR (0.50) MEN1KMT2ATSHR
SCHEMBL4303619 0.73 MAPT (0.54) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL13727420 0.72 LCK (0.44)
SCHEMBL30592890 0.72 LCK (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327078-A Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-02 CN disclosed
CN-117263945-A Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-12-22 CN disclosed
CN-113316578-B Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-31 CN disclosed
CN-113316578-A Heterocyclic compounds, pharmaceutical compositions containing them, processes for their preparation and their use 四川科伦博泰生物医药股份有限公司 2021-08-27 CN disclosed