SCHEMBL30285609

SCHEMBL30285609

Cn1ccc(Nc2ccc3c(c2)C(=O)NCC3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ MKNK1 Q9BUB5 3/20 0.48
▸ PARP10 Q53GL7 8/20 0.48
▸ PARP1 P09874 6/20 0.48
▸ F7 P08709 1/20 0.48
▸ F3 P13726 1/20 0.48
▸ MAPK1 P28482 1/20 0.43
▸ WEE1 P30291 2/20 0.41
▸ PARP11 Q9NR21 3/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.37
▸ RPS6KA2 Q15349 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ BACE2 Q9Y5Z0 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
SCHEMBL30285550 0.79 MKNK1 (0.55) PRMT5WDR77MKNK1PARP10PARP1
SCHEMBL30285395 0.78 PARP10 (0.50) PRMT5WDR77MKNK1PARP10PARP1
SCHEMBL10157871 0.72 MKNK1 (0.45) MKNK1PARP10PARP1F7F3
SCHEMBL30285547 0.72 PARP10 (0.52) PRMT5WDR77MKNK1PARP10PARP1
SCHEMBL2027837 0.71 PARP10 (0.63) MKNK1PARP10PARP1F7F3
SCHEMBL30285534 0.71 PARP10 (0.51) PRMT5WDR77MKNK1PARP10PARP1
SCHEMBL13663549 0.70 MKNK1 (0.45) MKNK1PARP10PARP1F7F3
SCHEMBL30683574 0.70 PARP10 (0.56) MKNK1PARP10PARP1F7F3
SCHEMBL21460002 0.68 PARP10 (0.58) MKNK1PARP10PARP1F7F3
SCHEMBL11906514 0.67 PARP10 (0.56) MKNK1PARP10PARP1F7F3

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
CN-111825656-B Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2023-03-31 — — CN claimed
CN-111825656-B Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2023-03-31 — — CN disclosed
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