SCHEMBL31448239

SCHEMBL31448239

NC(=O)c1cnn(-c2nc(Br)cnc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
ADORA2A P29274 1/20 0.39
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
PDE10A Q9Y233 2/20 0.36
MAP4K4 O95819 2/20 0.35
ATR Q13535 1/20 0.34
CHEK2 O96017 3/20 0.33
MKNK1 Q9BUB5 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
MKNK2 Q9HBH9 1/20 0.33
NNMT P40261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGDS O60760 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
FYN P06241 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
SCHEMBL29507151 0.88 ALKBH2 (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL23012663 0.88 ALKBH2 (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL23022181 0.83 ADORA2A (0.43) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL31448135 0.82 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL31448269 0.80 ADORA2A (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL23022201 0.80 ADORA2A (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL23012226 0.78 ADORA2A (0.48) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL29507175 0.78 ADORA2A (0.48) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL31448229 0.76 HDAC6 (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL31448123 0.74 ATR (0.48) ADORA2APDE10AATR

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
CN-119613384-A 2-Amino substituted aza-heteroaryl compounds as HPK1 inhibitors and uses thereof 中国药科大学 2025-03-14 CN disclosed