SCHEMBL30285390

SCHEMBL30285390

O=C1NCCc2ncc(NC3CCOCC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 11/20 0.50
▸ PRMT5 O14744 3/20 0.47
▸ WDR77 Q9BQA1 3/20 0.47
▸ PIM1 P11309 3/20 0.44
▸ PIM2 Q9P1W9 3/20 0.44
▸ CDC7 O00311 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL30285592 0.88 PRMT5 (0.44) MAPK1PRMT5WDR77PIM1PIM2
SCHEMBL25321038 0.71 PARP1 (0.36) PIM1CDC7
SCHEMBL25322726 0.70 PARP1 (0.35) PIM1CDC7
SCHEMBL5863676 0.68 CDC7 (0.40) MAPK1CDC7
SCHEMBL31553851 0.68 CDC7 (0.40) MAPK1CDC7
SCHEMBL25925662 0.68 PARP10 (0.37) MAPK1CDC7DBF4
SCHEMBL5863725 0.68 PARP10 (0.51) MAPK1PIM1CDC7JAK2
SCHEMBL12457586 0.68 PARP10 (0.51) CDC7
SCHEMBL30285326 0.68 PARP10 (0.51) MAPK1PIM1CDC7JAK2
SCHEMBL30285524 0.68 PRMT5 (0.47) MAPK1PRMT5WDR77PIM1PIM2

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
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