SCHEMBL30446331

SCHEMBL30446331

COc1ccc(CNc2nccc3c2c(I)cn3C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.46
CCNE2 O96020 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
NPC1 O15118 1/20 0.45
THRB P10828 2/20 0.44
TP53 P04637 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CCNB2 O95067 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
GAA P10253 2/20 0.42
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.42
NR2F2 P24468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.41
CHRM4 P08173 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
SCHEMBL25273214 1.00 CDK1 (0.46) CDK1CCNE2CCNE1CDK2NPC1
SCHEMBL25243808 0.81 CDK1 (0.46) CDK1CCNE2CCNE1CDK2NPC1
SCHEMBL30566199 0.81 CDK1 (0.46) CDK1CCNE2CCNE1CDK2NPC1
SCHEMBL25706604 0.77 THRB (0.50) CDK1CCNE2CCNE1CDK2NPC1
SCHEMBL30566240 0.77 CDK1 (0.49) CDK1CCNE2CCNE1CDK2NPC1
SCHEMBL25283284 0.77 CDK1 (0.49) CDK1CCNE2CCNE1CDK2NPC1
SCHEMBL31361255 0.75 CACNA2D1 (0.43) CDK1CCNE2CCNE1CDK2NPC1
SCHEMBL31361280 0.75 CACNA2D1 (0.51) CDK1CCNE2CCNE1CDK2THRB
SCHEMBL30133420 0.75 CLK4 (0.50) CDK1CCNE2CCNE1CDK2NPC1
SCHEMBL27082684 0.75 CLK4 (0.50) CDK1CCNE2CCNE1CDK2NPC1

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
EP-4440703-A1 HETEROCYCLIC COMPOUNDS AS GCN2 AND PERK KINASE INHIBITORS Deciphera Pharmaceuticals, LLC (US) 2024-10-09 EP disclosed
CN-118715223-A Heterocyclic compounds as GCN2 and PERK kinase inhibitors 德西费拉制药有限责任公司 2024-09-27 CN disclosed
WO-2023102228-A1 HETEROCYCLIC COMPOPUNDS AS GCN2 AND PERK KINASE INHIBITORS DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-08 WO disclosed