SCHEMBL18697186

SCHEMBL18697186

C=N/C(=C\C(=C/C)C(=O)NCc1c(C)cc(N)nc1C)Cc1cnc2cc(F)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.46
MAP4K1 Q92918 5/20 0.41

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
SCHEMBL21657181 0.94 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL18458910 0.91 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL18697189 0.84 KLKB1 (0.42) KLKB1MAP4K1
SCHEMBL20282951 0.82 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL20616408 0.82 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL18697173 0.82 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL21657106 0.81 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL18459054 0.80 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL18459261 0.78 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL23279904 0.78 KLKB1 (0.44) 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
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 US disclosed