SCHEMBL20193178

SCHEMBL20193178

Cc1ccc(S(=O)(=O)n2cc(-c3cnn(COCCS(C)(C)C)c3)c3cc(Br)ncc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 4/20 0.36
LRRK2 Q5S007 1/20 0.35
PTPN11 Q06124 1/20 0.34
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 3/20 0.32
KDM4E B2RXH2 1/20 0.31
UBE2N P61088 1/20 0.31
EED O75530 2/20 0.31
ALK Q9UM73 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL16608643 0.90 L3MBTL1 (0.39) L3MBTL1BRD4LRRK2PTPN11SLC1A3
SCHEMBL19629512 0.89 L3MBTL1 (0.41) L3MBTL1BRD4LRRK2PIM1PIM2
SCHEMBL20193242 0.87 CHUK (0.36)
SCHEMBL20193225 0.85 PDE4A (0.37) L3MBTL1BRD4PTPN11SLC1A3SLC1A2
SCHEMBL20193233 0.83 CHUK (0.49)
SCHEMBL20193252 0.82 HTR6 (0.33) HTR6
SCHEMBL20193251 0.82 CREBBP (0.33) BRD4ALK
SCHEMBL20193179 0.81 CREBBP (0.32) BRD4LRRK2PIM1ALK
SCHEMBL20193221 0.81 L3MBTL1 (0.33) L3MBTL1BRD4PIM1PIM2MEN1
SCHEMBL19114543 0.81 CHUK (0.35) LRRK2

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
US-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed