SCHEMBL25344580

SCHEMBL25344580

CN(CCCNc1c(N)ccc(Cl)c1Br)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
AAK1 Q2M2I8 3/20 0.35
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SSTR4 P31391 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
CYP1A2 P05177 1/20 0.31
PDK2 Q15119 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
BRD4 O60885 1/20 0.30
DRD2 P14416 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
SCHEMBL25342497 0.85 METAP2 (0.38) METAP2FPR3FPR2AAK1STK17B
SCHEMBL5128404 0.84 METAP2 (0.41) METAP2FPR3FPR2AAK1STK17B
SCHEMBL25344251 0.83 METAP2 (0.36) METAP2FPR3FPR2CYP1A2DRD2
SCHEMBL25341607 0.82 METAP2 (0.41) METAP2FPR3FPR2AAK1CA14
SCHEMBL25343680 0.80 METAP2 (0.36) METAP2FPR3FPR2AAK1CA14
SCHEMBL25346494 0.77 METAP2 (0.36) METAP2FPR3FPR2AAK1STK17B
SCHEMBL25343192 0.76 AAK1 (0.39) METAP2FPR3FPR2AAK1CA14
SCHEMBL25345126 0.76 METAP2 (0.38) METAP2FPR3FPR2AAK1CA14
SCHEMBL1979475 0.74 MCHR1 (0.42) METAP2FPR3FPR2CA14CYP1A2
SCHEMBL18767671 0.72 METAP2 (0.42) METAP2FPR3FPR2AAK1CYP1A2

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-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed