SCHEMBL19780143

SCHEMBL19780143

Cc1nnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.44
MAP4K1 Q92918 12/20 0.43

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
SCHEMBL28309059 0.85 KLKB1 (0.41) KLKB1MAP4K1
SCHEMBL19780144 0.81 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL20531505 0.80 KLKB1 (0.48) KLKB1MAP4K1
Hydrochloric Acid SCHEMBL20531420 0.80 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL19780482 0.80 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL19780477 0.80 KLKB1 (0.43) KLKB1MAP4K1
SCHEMBL22276430 0.77 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL22276493 0.76 CYP1A2 (0.41) KLKB1MAP4K1
SCHEMBL18371614 0.76 KLKB1 (0.42) KLKB1MAP4K1
SCHEMBL19779976 0.76 KLKB1 (0.46) 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
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 WO disclosed