SCHEMBL30795243

SCHEMBL30795243

N#Cc1cccc(-n2cc(-c3ccccn3)cn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 1.00
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL3922456 1.00 GRM5 (1.00) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL3929004 0.86 GRM5 (0.76) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL5217879 0.86 GRM5 (0.76) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL5216403 0.85 GRM5 (0.74) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL3931395 0.84 GRM5 (0.72) GRM5IRAK4
SCHEMBL5667534 0.84 GRM5 (0.71) GRM5
SCHEMBL19902102 0.82 GRM5 (0.70) GRM5IRAK4
SCHEMBL3934307 0.82 GRM5 (0.70) GRM5IRAK4
SCHEMBL5667022 0.81 GRM5 (0.68) GRM5
SCHEMBL5220524 0.81 GRM5 (0.68) GRM5KDM4EALDH1A1MAPTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed