SCHEMBL20193221

SCHEMBL20193221

Bc1nn(COCCS(C)(C)C)c(B)c1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2cnc(Br)cc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.32
EED O75530 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR6 P50406 2/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
UBE2N P61088 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
SCHEMBL20193224 0.82 CHUK (0.30)
SCHEMBL20193225 0.81 PDE4A (0.37) L3MBTL1BRD4EEDMEN1KMT2A
SCHEMBL20193178 0.81 L3MBTL1 (0.39) L3MBTL1BRD4EEDMEN1KMT2A
SCHEMBL20193169 0.73
SCHEMBL16608400 0.71 PDE4A (0.37) L3MBTL1BRD4EEDHTR6PIM1
SCHEMBL20307364 0.71 HTR6 (0.34) L3MBTL1MEN1KMT2AHTR6KDM4E
SCHEMBL19114534 0.71 HTR6 (0.47) L3MBTL1HTR6KDM4EUBE2N
SCHEMBL16608643 0.71 L3MBTL1 (0.39) L3MBTL1BRD4EEDHTR6PIM1
SCHEMBL19629512 0.69 L3MBTL1 (0.41) L3MBTL1BRD4MEN1KMT2AHTR6
SCHEMBL16608384 0.69 L3MBTL1 (0.44) L3MBTL1BRD4HTR6KDM4EUBE2N

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