SCHEMBL25938860

SCHEMBL25938860

CC(C)Cc1cncc2[nH]c(Cn3cccc(NC=O)c3=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 17/20 0.47
PTGER3 P43115 2/20 0.34
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25938330 0.89 MAP4K1 (0.56) MAP4K1PTGER3PKMSMN1; SMN2
SCHEMBL25938898 0.81 MAP4K1 (0.41) MAP4K1PTGER3PKMSMN1; SMN2
SCHEMBL25950670 0.79 MAP4K1 (0.45) MAP4K1PTGER3PKMSMN1; SMN2
SCHEMBL25938916 0.78 MAP4K1 (0.62) MAP4K1
SCHEMBL25938804 0.77 MAP4K1 (0.43) MAP4K1
SCHEMBL25940521 0.77 MAP4K1 (0.44) MAP4K1PTGER3PKMSMN1; SMN2
SCHEMBL25938485 0.76 MAP4K1 (0.40) MAP4K1PTGER3
SCHEMBL21683880 0.75 MAP4K1 (0.75) MAP4K1
SCHEMBL21683873 0.75 MAP4K1 (0.75) MAP4K1
SCHEMBL21683877 0.75 MAP4K1 (0.75) 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