SCHEMBL25948174

SCHEMBL25948174

CNc1cccn(Cc2nc3c(OCc4ccc(F)cc4F)c(F)c(F)cc3[nH]2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 17/20 0.49
MAPK14 Q16539 2/20 0.38
PTGER3 P43115 1/20 0.36

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
SCHEMBL21703333 0.88 MAP4K1 (0.43) MAP4K1MAPK14
SCHEMBL25942399 0.86 MAP4K1 (0.44) MAP4K1MAPK14PTGER3
SCHEMBL21684478 0.78 MAP4K1 (0.83) MAP4K1
SCHEMBL21684482 0.78 MAP4K1 (0.83) MAP4K1
SCHEMBL21684481 0.78 MAP4K1 (0.83) MAP4K1
SCHEMBL25942449 0.78 MAP4K1 (0.45) MAP4K1MAPK14
SCHEMBL31450201 0.78 MAP4K1 (0.67) MAP4K1
SCHEMBL25948635 0.76 MAP4K1 (0.46) MAP4K1MAPK14PTGER3
SCHEMBL25948643 0.76 MAP4K1 (0.46) MAP4K1MAPK14PTGER3
SCHEMBL21703332 0.74 MAP4K1 (0.55) MAP4K1MAPK14

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