SCHEMBL31362964

SCHEMBL31362964

CC(C)(O)c1cnc(-c2ccc3c(=O)[nH]ccc3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PRKACA P17612 5/20 0.39
▸ PRKACG P22612 4/20 0.39
▸ PRKACB P22694 4/20 0.39
▸ GRM5 P41594 1/20 0.37
▸ PARP1 P09874 6/20 0.36
▸ TNKS O95271 5/20 0.36
▸ TNKS2 Q9H2K2 5/20 0.36
▸ ROCK1 Q13464 3/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PRKG1 Q13976 1/20 0.36
▸ PKN1 Q16512 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ CDC42BPA Q5VT25 1/20 0.36
▸ Q6ZSR9 Q6ZSR9 1/20 0.36
▸ BMP2K Q9NSY1 1/20 0.36
▸ CDC42BPB Q9Y5S2 1/20 0.36

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
SCHEMBL30637813 0.84 PARP1 (0.43) ADORA2AHPGDPRKACAPRKACGPRKACB
SCHEMBL31363035 0.79 TNKS (0.39) ADORA2APARP1TNKSTNKS2ROCK2
SCHEMBL31363032 0.79 ADORA2A (0.45) ADORA2AHPGDPRKACAPRKACGPRKACB
SCHEMBL31058281 0.73 PARP1 (0.45) ADORA2AHPGDPRKACAPRKACGPRKACB
SCHEMBL31402076 0.71 PRKACA (0.54) ADORA2AHPGDPRKACAPRKACGPRKACB
SCHEMBL1690515 0.70 PARP1 (0.48) PRKACAGRM5PARP1ROCK1ROCK2
SCHEMBL31718115 0.69 PIM1 (0.42) ADORA2AHPGDPRKACAPRKACGPRKACB
SCHEMBL31718095 0.68 ADORA2A (0.45) ADORA2AHPGDPRKACAPRKACGPRKACB
SCHEMBL12663940 0.68 ROCK2 (0.45) HPGDPRKACAGRM5PARP1ROCK1
SCHEMBL25290996 0.67 GRM5 (0.59) PRKACAPRKACGPRKACBGRM5PARP1

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
WO-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 — — WO disclosed
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