SCHEMBL18697232

SCHEMBL18697232

C=N/C(=C\C(=C/C)C(=O)NCc1ccc(N)nc1C)Cc1ccc2ncc(Cl)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.55
MAP4K1 Q92918 11/20 0.46

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
SCHEMBL18458339 0.89 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL18458683 0.88 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL21657106 0.88 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL18458899 0.83 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL21064317 0.82 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL18458981 0.82 KLKB1 (0.44) KLKB1MAP4K1
SCHEMBL21064334 0.82 KLKB1 (0.59) KLKB1MAP4K1
SCHEMBL20616453 0.82 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL21064331 0.81 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL18697145 0.80 KLKB1 (0.57) 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