SCHEMBL19783229

SCHEMBL19783229

Cc1ncc(NC(=O)OCC(C)Oc2nc3sc(Cl)nc3cc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.36
F2RL3 Q96RI0 4/20 0.36
ACACB O00763 6/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL21395346 0.86 ACACB (0.36) F2RL3ACACB
SCHEMBL31114077 0.86 ACACB (0.36) F2RL3ACACB
SCHEMBL31113883 0.85 F2RL3 (0.35) F2RL3ACACB
SCHEMBL19783165 0.85 F2RL3 (0.35) F2RL3ACACB
SCHEMBL19782470 0.85 F2RL3 (0.37) F2RL3MAPTMEN1LMNAKMT2A
SCHEMBL19783176 0.81 ACACB (0.39) ACACB
SCHEMBL19783177 0.81 ACACB (0.39) ACACB
SCHEMBL21395610 0.80 F2RL3 (0.59) F2RL3
SCHEMBL21379457 0.77 ACACB (0.35) F2RL3ACACBMAPT
SCHEMBL19782777 0.77 ACACB (0.35) F2RL3ACACBMAPT

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