SCHEMBL25344247

SCHEMBL25344247

COc1ncc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.54
PRMT5 O14744 2/20 0.53
USP30 Q70CQ3 5/20 0.48
PDE4B Q07343 1/20 0.46
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
ROCK2 O75116 2/20 0.44
APLNR P35414 1/20 0.44
DHODH Q02127 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
ACKR3 P25106 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 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
SCHEMBL27211057 1.00 HPGDS (0.54) HPGDSPRMT5USP30PDE4BEGFR
SCHEMBL30473727 1.00 HPGDS (0.54) HPGDSPRMT5USP30PDE4BEGFR
SCHEMBL30473674 0.84 PIK3CD (0.51) HPGDSPRMT5PDE4BJAK2
SCHEMBL25344277 0.84 PIK3CD (0.51) HPGDSPRMT5PDE4BJAK2
SCHEMBL27211356 0.84 PIK3CD (0.51) HPGDSPRMT5PDE4BJAK2
SCHEMBL29457359 0.83 PRMT5 (0.47) HPGDSPRMT5USP30PDE4BJAK2
SCHEMBL27211046 0.83 PRMT5 (0.47) HPGDSPRMT5USP30PDE4BJAK2
SCHEMBL25341678 0.83 PRMT5 (0.47) HPGDSPRMT5USP30PDE4BJAK2
SCHEMBL25343640 0.83 PDE4B (0.47) HPGDSPRMT5USP30PDE4BJAK2
SCHEMBL29457556 0.83 PDE4B (0.47) HPGDSPRMT5USP30PDE4BJAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed