SCHEMBL27361849

SCHEMBL27361849

Nc1ncc(Br)nc1C#Cc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
GRM4 Q14833 1/20 0.33
PIKFYVE Q9Y2I7 3/20 0.32
ADK P55263 2/20 0.32
CHRM2 P08172 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTT P42858 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
PLAU P00749 1/20 0.31
ATR Q13535 1/20 0.31
FFAR1 O14842 1/20 0.31
IMPDH2 P12268 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
SCHEMBL32661059 1.00 GRM5 (0.36) GRM5PIK3CAMTORGRM4PIKFYVE
SCHEMBL557769 0.85 GRM4 (0.44) GRM5GRM4ADKPLAUATR
SCHEMBL1934284 0.78 APP (0.51) ADK
SCHEMBL2634342 0.74 PIK3CG (0.46) GRM5PIK3CAPLAUATRFFAR1
SCHEMBL22467599 0.73 ADK (0.45) ADKHTT
SCHEMBL1934112 0.73 HTT (0.33) HTTATR
SCHEMBL1933950 0.72 GRM5 (0.38) GRM5PIK3CAMTORHTT
SCHEMBL29814797 0.70 HTT (0.31) HTTATR
SCHEMBL15121149 0.70 HTT (0.31) HTTATR
SCHEMBL422711 0.70 HTT (0.31) HTTATR

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-2024014536-A1 REAGENT FOR DETECTING SARS-RELATED CORONAVIRUS 国立研究開発法人産業技術総合研究所 2024-01-18 WO disclosed