SCHEMBL29507151

SCHEMBL29507151

Nc1ncc(Br)nc1-n1cc(C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 2/20 0.46
HPGDS O60760 1/20 0.46
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
PDE10A Q9Y233 1/20 0.46
EGLN1 Q9GZT9 15/20 0.44
ALKBH1 Q13686 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL23012663 1.00 ALKBH2 (0.46) ALKBH2HPGDSLDHALDHBPDE10A
SCHEMBL31448239 0.88 PIK3CD (0.47) ALKBH2HPGDSLDHALDHBPDE10A
SCHEMBL23022181 0.83 ADORA2A (0.43) LDHALDHBPDE10APIK3CDPIK3R1
SCHEMBL23022201 0.80 ADORA2A (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL31448269 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) LDHALDHBPDE10AEGLN1PIK3CD
SCHEMBL31448123 0.74 ATR (0.48) PDE10A
SCHEMBL31448135 0.70 PIK3CD (0.45) ALKBH2HPGDSLDHALDHBEGLN1

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 3 patents. 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
CN-114341127-B Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-12-17 CN disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 CN disclosed