SCHEMBL30983986

SCHEMBL30983986

CC1(Oc2ncnc3c2nc(Br)n3C2CCCCO2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.44
▸ ADORA3 P0DMS8 3/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ TP53 P04637 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADCY1 Q08828 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 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
SCHEMBL30984000 0.81 CYP2C19 (0.61) CYP2C19ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31269439 0.81 CYP2C19 (0.60) CYP2C19ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6664608 0.77 ADORA3 (0.47) CYP2C19ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17847680 0.69 CCNB2 (0.43) CYP2C19ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17847685 0.68 NPC1 (0.41) CYP2C19ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17847688 0.68 NPC1 (0.41) CYP2C19ADORA3ADORA2AADORA1ADORA2B
SCHEMBL21684666 0.68 NPC1 (0.42) CYP2C19TP53CYP2C9NFKB1MAPK1
SCHEMBL17847268 0.68 NPC1 (0.67) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL30984101 0.67 ADORA2A (0.56) ADORA2AADORA1ADORA2BPIK3CD
SCHEMBL30984102 0.67 ADORA2A (0.56) ADORA2AADORA1ADORA2BPIK3CD

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-4630410-A1 POLQ INHIBITORS Astrazeneca AB (SE) 2025-10-15 — — EP disclosed
WO-2024121753-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2024-06-13 — — WO disclosed
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