SCHEMBL20645952

SCHEMBL20645952

O=C(CC(F)(F)F)c1nc2n(n1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL20645939 0.80 RIPK1 (0.44) RIPK1SMN1; SMN2
SCHEMBL20228736 0.78 RIPK1 (0.35) RIPK1SMN1; SMN2
SCHEMBL19659321 0.75 ALDH1A1 (0.33) RIPK1SMN1; SMN2
SCHEMBL20645808 0.74 MAPK1 (0.36) RIPK1SMN1; SMN2
SCHEMBL23256256 0.74 HTT (0.35) SMN1; SMN2
SCHEMBL20645899 0.73 RIPK1 (0.36) RIPK1SMN1; SMN2
SCHEMBL20228866 0.73 RIPK1 (0.44) RIPK1SMN1; SMN2
SCHEMBL20645767 0.72 RIPK1 (0.38) RIPK1SMN1; SMN2
SCHEMBL20646022 0.70 RIPK1 (0.50) RIPK1
SCHEMBL20645803 0.70 POLB (0.46)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 EP disclosed
EP-3652178-B1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2024-01-24 EP disclosed
WO-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 WO disclosed