SCHEMBL20399552

SCHEMBL20399552

Cc1csc(-c2nc(CC=O)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.44
IDH2 P48735 1/20 0.38
FABP4 P15090 5/20 0.33
FABP5 Q01469 5/20 0.33
LCK P06239 1/20 0.33
ITK Q08881 1/20 0.33
ADORA2A P29274 1/20 0.32

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
SCHEMBL21144230 0.88 IDH1 (0.47) IDH1IDH2FABP4FABP5LCK
SCHEMBL31127261 0.88 IDH1 (0.47) IDH1IDH2FABP4FABP5LCK
SCHEMBL24061496 0.88 IDH1 (0.47) IDH1IDH2FABP4FABP5LCK
SCHEMBL21143683 0.87 IDH1 (0.46) IDH1IDH2FABP4FABP5LCK
SCHEMBL31127045 0.87 IDH1 (0.46) IDH1IDH2FABP4FABP5LCK
SCHEMBL21165926 0.87 IDH1 (0.41) IDH1IDH2FABP4FABP5LCK
SCHEMBL19687361 0.86 IDH1 (0.45) IDH1IDH2FABP4FABP5LCK
SCHEMBL20399597 0.85 IDH1 (0.44) IDH1IDH2FABP4FABP5LCK
SCHEMBL19686388 0.85 IDH1 (0.44) IDH1IDH2FABP4FABP5LCK
SCHEMBL19686338 0.84 IDH1 (0.51) IDH1IDH2FABP4FABP5ADORA2A

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-2018136917-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. (US) 2018-07-26 WO disclosed