SCHEMBL20645895

SCHEMBL20645895

C=C(/C=C\C=C/C)[C@@H]1CCn2nc(C(=O)CC)cc21

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.53

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
SCHEMBL29297718 0.84 RIPK1 (0.55) RIPK1
SCHEMBL23353355 0.82 RIPK1 (0.53) RIPK1
SCHEMBL20645944 0.73 RIPK1 (0.64) RIPK1
SCHEMBL23219840 0.71 RIPK1 (0.50) RIPK1
SCHEMBL24743557 0.70 RIPK1 (0.36) RIPK1
SCHEMBL24990756 0.70 RIPK1 (0.69) RIPK1
SCHEMBL20641141 0.69 RIPK1 (1.00) RIPK1
SCHEMBL20640677 0.69 RIPK1 (1.00) RIPK1
SCHEMBL20640756 0.69 RIPK1 (1.00) RIPK1
SCHEMBL20904022 0.67 LMNA (0.38)

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-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 WO disclosed