SCHEMBL25947417

SCHEMBL25947417

O=CNc1cccn(Cc2nc3cccc(OCc4ccc(F)cc4F)c3s2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.43
MAP4K1 Q92918 11/20 0.42
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL21702983 0.89 MAPK14 (0.44) MAPK14MAP4K1PSEN1PSEN2APH1B
SCHEMBL21684882 0.86 MAPK14 (0.47) MAPK14MAP4K1
SCHEMBL21685680 0.82 ALDH1A1 (0.50) MAPK14MAP4K1
SCHEMBL25947747 0.81 DHFR (0.43) MAPK14MAP4K1PSEN1PSEN2APH1B
SCHEMBL25947405 0.81 MAP4K1 (0.50) MAP4K1
SCHEMBL25947430 0.79 MAP4K1 (0.58) MAP4K1
SCHEMBL21685344 0.78 MAPK14 (0.44) MAPK14
SCHEMBL31304004 0.78 MAPK14 (0.44) MAPK14
SCHEMBL25945213 0.78 MAP4K1 (0.56) MAPK14MAP4K1
SCHEMBL21683468 0.78 MAP4K1 (0.61) 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