SCHEMBL23269754

SCHEMBL23269754

Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cccc3c(C#N)ccnc23)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.58
MAP4K1 Q92918 16/20 0.58

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
SCHEMBL23269759 0.85 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL16880826 0.83 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL18370128 0.81 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL23269752 0.80 KLKB1 (0.70) KLKB1MAP4K1
SCHEMBL23269766 0.80 KLKB1 (0.64) KLKB1MAP4K1
SCHEMBL23269755 0.80 KLKB1 (0.70) KLKB1MAP4K1
SCHEMBL17442514 0.78 KLKB1 (0.67) KLKB1MAP4K1
SCHEMBL23269753 0.78 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL17920392 0.78 KLKB1 (0.66) KLKB1MAP4K1
SCHEMBL16881308 0.78 KLKB1 (0.61) KLKB1MAP4K1

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-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP claimed