SCHEMBL31204279

SCHEMBL31204279

Cn1cc(CC(=O)Nc2nc3ccc(Br)cn3n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 8/20 0.52
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PIK3CA P42336 5/20 0.39
▸ ROCK2 O75116 3/20 0.39
▸ TTK P33981 3/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL31204096 0.76 PIK3CG (0.51) PIK3CGGSK3BDYRK1APIK3CAROCK2
SCHEMBL936127 0.75 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL968074 0.73 AHR (0.46) PIK3CGPIK3CATTKPIK3CDPIK3CB
SCHEMBL31204112 0.69 PIK3CG (0.41) PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL31286957 0.69 HDAC8 (0.41) PIK3CGPIK3CATTKRAB9APIK3CD
SCHEMBL2771935 0.69 TTK (0.62) PIK3CGTTKNPC1RAB9AADORA1
SCHEMBL16439342 0.68 AHR (0.53) PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL15219428 0.68 MET (0.46) GSK3BDYRK1AALDH1A1HTTSMN1; SMN2
SCHEMBL2788075 0.67 PIK3CA (0.54) PIK3CGPIK3CAROCK2TTKNPC1
SCHEMBL31176823 0.66 CYP1A2 (0.46) GSK3BDYRK1AALDH1A1HTTSMN1; SMN2

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-4727938-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2026-04-22 — — EP disclosed
WO-2024259121-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2024-12-19 — — WO disclosed
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