SCHEMBL29922151

SCHEMBL29922151

O=c1onc(C2CC2)c2ccc(Br)cc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ CDC7 O00311 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ CSNK2B P67870 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ BCL2 P10415 1/20 0.32
▸ SCD5 Q86SK9 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32

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
SCHEMBL29922370 0.94 POLB (0.34) ESR2POLBACHECDC7PIM1
SCHEMBL30476244 0.79 SCD (0.39) ACHEPIM1DRD2SLC6A4
SCHEMBL29922376 0.75 DRD2 (0.38) ACHEDRD2SLC6A4CYP17A1
SCHEMBL17824559 0.72 PRMT5 (0.45) POLBCDC7PIM1CSNK2BCSNK2A1
SCHEMBL3523366 0.70 MAPK14 (0.47) ACHECDC7PIM1CSNK2BCSNK2A1
SCHEMBL24469239 0.69 POLB (0.36) POLBPIM1SLC6A4
SCHEMBL29426504 0.69 PRMT5 (0.42) POLBCDC7PIM1CSNK2BCSNK2A1
SCHEMBL24076263 0.69 PRMT5 (0.42) POLBCDC7PIM1CSNK2BCSNK2A1
SCHEMBL17824774 0.67 PRMT5 (0.46) CDC7PIM1CSNK2BCSNK2A1
SCHEMBL15159992 0.66 ESR2 (0.59) ESR2POLBPIM1CSNK2A1ESR1

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
WO-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 — — WO disclosed
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