SCHEMBL30285341

SCHEMBL30285341

Cn1cc(-c2ccc3c(c2)C(=O)NCC3)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.52
PARP1 P09874 6/20 0.52
MAPK1 P28482 1/20 0.51
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
MAPKAPK2 P49137 1/20 0.48
KDM1A O60341 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
PARP11 Q9NR21 3/20 0.46
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
ACVR1 Q04771 1/20 0.45
BRAF P15056 1/20 0.44
EPHX2 P34913 1/20 0.44
FLT3 P36888 3/20 0.43
OTUD7B Q6GQQ9 1/20 0.43
PDPK1 O15530 1/20 0.43

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
SCHEMBL10131011 0.86 BRAF (0.58) MAPK1KDM1APRMT5WDR77ACVR1
SCHEMBL17785716 0.80 KDM1A (0.48) KDM1APRMT5WDR77PIM1PIM2
SCHEMBL23930158 0.78 MEN1 (0.59) PRMT5WDR77ACVR1EPHX2FLT3
SCHEMBL30285550 0.78 MKNK1 (0.55) PARP10PARP1MAPK1F7F3
SCHEMBL30285494 0.77 PARP10 (0.54) PARP10PARP1MAPK1F7F3
SCHEMBL21255300 0.77 AXL (0.46) KDM1APRMT5WDR77ACVR1EPHX2
SCHEMBL13820261 0.77 PARP10 (0.76) PARP10PARP1MAPK1F7F3
SCHEMBL5253621 0.75 PARP10 (0.77) PARP10PARP1F7F3PARP11
SCHEMBL797294 0.74 PARP10 (0.76) PARP10PARP1F7F3MAPKAPK2
SCHEMBL25221604 0.74 TNIK (0.53) PDPK1

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-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