SCHEMBL19780072

SCHEMBL19780072

CCCC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.59
MAP4K1 Q92918 7/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL20531585 0.84 KLKB1 (0.62) KLKB1MAP4K1MAPK1POLB
SCHEMBL19780070 0.84 KLKB1 (0.60) KLKB1MAP4K1MAPK1
SCHEMBL22276469 0.76 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL19779879 0.76 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL19779880 0.75 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL19779816 0.74 KLKB1 (0.80) KLKB1MAP4K1MAPK1POLB
SCHEMBL19780359 0.74 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL19780598 0.74 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL19780379 0.73 KLKB1 (1.00) KLKB1MAP4K1MAPK1
SCHEMBL19779817 0.73 KLKB1 (0.59) KLKB1MAP4K1MAPK1POLB

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
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 WO disclosed