SCHEMBL30499841

SCHEMBL30499841

CC#Cc1ccccc1-n1c(=O)[nH]c(=O)c2ccc(C3CC3)cc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 7/20 0.62
▸ TNKS O95271 2/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ KHK P50053 2/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ BCAT1 P54687 1/20 0.30
▸ HSP90AA1 P07900 2/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL30499842 0.86 MAT2A (0.65) MAT2ACDK2GSK3BLIPGKHK
SCHEMBL30499846 0.83 MAT2A (0.39) MAT2APARP1HSP90AA1
SCHEMBL29570284 0.82 MAT2A (0.69) MAT2AMAPT
SCHEMBL22093235 0.82 MAT2A (0.69) MAT2AMAPT
SCHEMBL31145435 0.80 MAT2A (0.69) MAT2ALIPGPARP1HSP90AA1
SCHEMBL22093374 0.80 MAT2A (0.69) MAT2AMAPTHSP90AA1
SCHEMBL22093922 0.80 MAT2A (0.69) MAT2ALIPGPARP1HSP90AA1
SCHEMBL30499832 0.80 MAT2A (0.69) MAT2AMAPTHSP90AA1
SCHEMBL22093366 0.77 MAT2A (1.00) MAT2AGSK3BLIPGKHK
SCHEMBL29570381 0.77 MAT2A (1.00) MAT2AGSK3BLIPGKHK

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-116283799-A Quinazoline methionine adenosyltransferase 2A inhibitors 南京正大天晴制药有限公司 2023-06-23 — — CN disclosed
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