SCHEMBL28065023

SCHEMBL28065023

Cc1nc(C2CCCCN2)sc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.41
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
CDC7 O00311 5/20 0.34
CCNE1 P24864 5/20 0.34
CDK2 P24941 5/20 0.34
ROCK1 Q13464 5/20 0.34
DBF4 Q9UBU7 5/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
CLK1 P49759 2/20 0.34
DAPK1 P53355 2/20 0.34
DMPK Q09013 2/20 0.34
DYRK1A Q13627 2/20 0.34
HIPK4 Q8NE63 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
CDK3 Q00526 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PARP1 P09874 3/20 0.32

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
SCHEMBL16401379 0.75 RAB9A (0.39) BAZ2APARP1NPC1RAB9ASMN1; SMN2
SCHEMBL28065021 0.75 BAZ2A (0.40) BAZ2AERCC1ERCC4CDC7CCNE1
SCHEMBL280241 0.72 MKNK1 (0.31) BAZ2AMKNK1
SCHEMBL5649233 0.71 MKNK1 (0.40) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL5649230 0.71 MKNK1 (0.40) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL259758 0.70 MKNK1 (0.32) BAZ2ACDC7CCNE1CDK2ROCK1
SCHEMBL263744 0.70 MKNK1 (0.32) BAZ2ACDC7CCNE1CDK2ROCK1
SCHEMBL18995321 0.69 BAZ2A (0.34) BAZ2AMKNK1
SCHEMBL10850350 0.68 BAZ2A (0.37) BAZ2AERCC1ERCC4PARP1
SCHEMBL873381 0.67 PTGDR2 (0.53) SLC6A3PTGDR2RAB9A

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-105579444-A Piperidinylindole derivatives and their use as complement factor B inhibitors NOVARTIS AG 2016-05-11 CN disclosed