SCHEMBL16084943

SCHEMBL16084943

Cc1ccc(CCCCCN2C(=O)NC(Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1CCc1cnc2cccnn12

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.75
RIPK2 O43353 1/20 0.75
RIPK3 Q9Y572 1/20 0.75
TNF P01375 9/20 0.47
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL17471691 0.89 RIPK1 (0.59) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL16084957 0.87 RIPK1 (0.61) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL17471690 0.86 RIPK1 (0.99) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL29686895 0.85 RIPK1 (1.00) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL29353518 0.85 RIPK1 (1.00) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL21678896 0.85 RIPK1 (1.00) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL16084942 0.85 RIPK1 (1.00) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL16084951 0.85 RIPK1 (0.59) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL17471719 0.85 RIPK1 (0.99) RIPK1RIPK2RIPK3TNFL3MBTL1
SCHEMBL16084944 0.84 RIPK1 (0.90) RIPK1RIPK2RIPK3TNFL3MBTL1

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
WO-2014145022-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed