SCHEMBL19783177

SCHEMBL19783177

CC(COC(=O)Cl)Oc1nc2sc(Cl)nc2cc1F

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.39

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
SCHEMBL19783176 1.00 ACACB (0.39) ACACB
SCHEMBL19783061 0.84 ACACB (0.36) ACACB
SCHEMBL19783228 0.83 ACACB (0.35) ACACB
SCHEMBL21379587 0.82 ACACB (0.41) ACACB
SCHEMBL19783222 0.82 ACACB (0.41) ACACB
SCHEMBL21379686 0.81 ACACB (0.36) ACACB
SCHEMBL19783060 0.81 ACACB (0.36) ACACB
SCHEMBL19783229 0.81 MAPKAPK2 (0.36) ACACB
SCHEMBL19782442 0.80 ACACB (0.38) ACACB
SCHEMBL19783224 0.79 ACACB (0.36) ACACB

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-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed