SCHEMBL29201299

SCHEMBL29201299

Cc1cnc2ccc(-c3nc(C(=O)NC[C@H]4CCO4)c(N)nc3-c3ccc[nH]3)cn12

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.72
▸ ADORA1 P30542 15/20 0.72
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL21722538 0.84 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL22551962 0.84 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL22552053 0.84 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL28462557 0.84 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL28459169 0.81 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL21722364 0.81 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL22551783 0.81 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL21722873 0.81 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL29201321 0.80 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL21722339 0.80 ADORA2A (0.96) ADORA2AADORA1

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-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 — — CN disclosed
Send feedback