SCHEMBL30516042

SCHEMBL30516042

CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JAK3 P52333 2/20 0.44
RET P07949 1/20 0.41
PARP1 P09874 13/20 0.39
PARP2 Q9UGN5 6/20 0.39
PARP6 Q2NL67 4/20 0.39
PARP3 Q9Y6F1 4/20 0.39
USP30 Q70CQ3 2/20 0.39
TNKS O95271 1/20 0.39
TIPARP Q7Z3E1 1/20 0.38
KCNH2 Q12809 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 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
SCHEMBL24649798 1.00 MEN1 (0.46) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL24649800 0.90 JAK3 (0.45) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL25738416 0.89 MEN1 (0.48) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20838957 0.85 JAK3 (0.44) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL30558294 0.85 JAK3 (0.44) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20848279 0.84 JAK3 (0.46) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20839065 0.83 JAK3 (0.46) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL30558296 0.83 JAK3 (0.46) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL22912831 0.82 SMN1; SMN2 (0.65) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL29396475 0.82 SMN1; SMN2 (0.65) MEN1MAPTTSHRKMT2ASMN1; SMN2

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-115232121-B Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-08-29 CN disclosed