SCHEMBL30952656

SCHEMBL30952656

Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cc(Br)cc(-c2cnn(C)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
RIPK2 O43353 1/20 0.40
BRD4 O60885 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
CLK1 P49759 2/20 0.38

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
SCHEMBL27322464 0.94 WNT1 (0.43) WNT1GSK3BDYRK1AIRAK4RIPK2
SCHEMBL24731399 0.90 WNT1 (0.41) WNT1GSK3BDYRK1AIRAK4RIPK2
SCHEMBL24731397 0.90 WNT1 (0.41) WNT1GSK3BDYRK1AIRAK4RIPK2
SCHEMBL31218177 0.90 KIT (0.41) WNT1GSK3BDYRK1AIRAK4RIPK2
SCHEMBL31217995 0.90 CLK1 (0.43) WNT1GSK3BDYRK1AIRAK4RIPK2
SCHEMBL24731567 0.90 CLK1 (0.43) WNT1GSK3BDYRK1AIRAK4RIPK2
SCHEMBL24731977 0.90 KIT (0.41) WNT1GSK3BDYRK1AIRAK4RIPK2
SCHEMBL31001469 0.89 WNT1 (0.40) WNT1GSK3BDYRK1AIRAK4RIPK2
SCHEMBL30952659 0.88 RET (0.45)
SCHEMBL30952662 0.88 RET (0.45)

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-2024121709-A1 PAPAIN-LIKE PROTEASE (PLPRO) INHIBITORS PFIZER INC. (US) 2024-06-13 WO disclosed