SCHEMBL30833185

SCHEMBL30833185

CN(C)Cc1n[nH]c(=O)c2c(I)cc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ PARP1 P09874 2/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 2/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ TYMP P19971 1/20 0.32
▸ AR P10275 1/20 0.31
▸ CHEK1 O14757 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
SCHEMBL25223292 1.00 POLB (0.50) POLBPIM1PIM2PARP1PRMT5
SCHEMBL25581256 0.85 POLB (0.51) POLBPIM1PIM2PARP1PRMT5
SCHEMBL29915166 0.84 POLB (0.54) POLBPIM1PIM2PARP1PRMT5
SCHEMBL27002538 0.84 POLB (0.54) POLBPIM1PIM2PARP1PRMT5
SCHEMBL30833177 0.82 PRMT5 (0.35) PARP1PRMT5WDR77ADORA1PDE1A
SCHEMBL25219373 0.82 PRMT5 (0.35) PARP1PRMT5WDR77ADORA1PDE1A
SCHEMBL31496951 0.82 PRMT5 (0.46) PRMT5WDR77
SCHEMBL23087512 0.82 ADORA1 (0.44) PARP1PRMT5WDR77ADORA1PDE1A
SCHEMBL29915218 0.80 POLB (0.46) POLBPIM1PIM2PARP1PRMT5
SCHEMBL27002563 0.80 POLB (0.46) POLBPIM1PIM2PARP1PRMT5

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-117730075-A Pyrazole derivative, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-03-19 — — CN disclosed
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