SCHEMBL18409596

SCHEMBL18409596

CN(C)C(=O)c1ccc2c(c1)N(C)C(=O)[C@@H](N(C(=O)O)C(C)(C)C)CO2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.41
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 5/20 0.36
PIK3CD O00329 1/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL18409597 1.00 RIPK1 (0.41) RIPK1TSHRLMNABRD4PIK3CD
SCHEMBL21111282 0.86 RIPK1 (0.41) RIPK1
SCHEMBL21111285 0.86 RIPK1 (0.41) RIPK1
SCHEMBL17312429 0.84 KIF11 (0.40) RIPK1
SCHEMBL17312431 0.84 KIF11 (0.40) RIPK1
SCHEMBL17312438 0.83 HPGD (0.44) TSHRHPGDGAA
SCHEMBL17312435 0.83 HPGD (0.44) TSHRHPGDGAA
SCHEMBL17312518 0.82 RIPK1 (0.38) RIPK1
SCHEMBL2236141 0.81 RIPK1 (0.46) RIPK1
SCHEMBL2236134 0.81 RIPK1 (0.46) RIPK1

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-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed