SCHEMBL20461663

SCHEMBL20461663

CC1=NOC(C)C1c1cnc2c(c1)c(CC1CCS(=O)(=O)CC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.63
HTR6 P50406 12/20 0.37
PIK3CG P48736 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
SCHEMBL16059486 0.77 BRD4 (1.00) BRD4
SCHEMBL19574811 0.76 BRD4 (0.52) BRD4
SCHEMBL1772003 0.73 BRD4 (0.55) BRD4HTR6
SCHEMBL1772423 0.68 BRD4 (0.52) BRD4HTR6
SCHEMBL20461458 0.67 BRD4 (0.38) BRD4HTR6
SCHEMBL1772540 0.66 HTR6 (0.64) BRD4HTR6
SCHEMBL20461344 0.66 BRD4 (0.37) BRD4HTR6
SCHEMBL5727247 0.62 HTR6 (0.58) BRD4HTR6
SCHEMBL16085698 0.61 BRD4 (1.00) BRD4
SCHEMBL16085697 0.61 BRD4 (1.00) BRD4

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
EP-2970265-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC (US) 2018-08-08 EP disclosed