SCHEMBL25938485

SCHEMBL25938485

CC(C)Cc1cc(F)cc2nc(Cn3cccc(NC=O)c3=O)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 14/20 0.40
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGER3 P43115 4/20 0.35

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
SCHEMBL25945712 0.85 MAP4K1 (0.46) MAP4K1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL25939445 0.79 MAP4K1 (0.45) MAP4K1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL25938330 0.78 MAP4K1 (0.56) MAP4K1KDM4EALDH1A1PTGER3
SCHEMBL21702971 0.78 MAP4K1 (0.55) MAP4K1
SCHEMBL25938804 0.78 MAP4K1 (0.43) MAP4K1
SCHEMBL25938860 0.76 MAP4K1 (0.47) MAP4K1PTGER3
SCHEMBL25939411 0.76 MAP4K1 (0.52) MAP4K1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL25940462 0.76 MAP4K1 (0.35) MAP4K1KDM4EALDH1A1PTGER3
SCHEMBL21684527 0.75 MAP4K1 (0.65) MAP4K1
SCHEMBL21684525 0.75 MAP4K1 (0.65) MAP4K1

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
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed