SCHEMBL19783121

SCHEMBL19783121

CC(CO)Oc1cc2sc(Br)nc2cc1F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.36
ACACB O00763 2/20 0.35
ILK Q13418 10/20 0.34
EGFR P00533 3/20 0.32
ITK Q08881 1/20 0.32
TRPV3 Q8NET8 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
SCHEMBL19783337 0.84 ILK (0.37) STING1ACACBILKTRPV3
SCHEMBL21379450 0.82 STING1 (0.36) STING1ACACBILK
SCHEMBL19783119 0.82 STING1 (0.36) STING1ACACBILK
SCHEMBL21379409 0.78 ACACB (0.40) STING1ACACBILK
SCHEMBL19783677 0.78 ACACB (0.40) STING1ACACBILK
SCHEMBL19784621 0.76 ILK (0.51) STING1ILK
SCHEMBL19782975 0.76 PIK3CD (0.38) ACACBILK
SCHEMBL19783238 0.75
SCHEMBL21379671 0.74 ACACB (0.42) STING1ACACBILK
SCHEMBL19783130 0.74 ACACB (0.42) STING1ACACBILK

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