SCHEMBL5770171

SCHEMBL5770171

CC[Si](CC)(CC)OC(C)(C)c1ccn2c(-c3ccnc(C(C)=O)n3)cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.46
GABRG2 P18507 19/20 0.46
GABRB3 P28472 19/20 0.46
GABRA3 P34903 18/20 0.46
DYRK1A Q13627 1/20 0.34
GABRA5 P31644 7/20 0.34
GABRA2 P47869 1/20 0.33

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
SCHEMBL5767469 0.85 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5769651 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5770280 0.84 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5769662 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5771286 0.83 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5769692 0.82 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5771981 0.82 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5770639 0.81 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5767918 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL5772571 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3DYRK1A

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-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed