SCHEMBL16639013

SCHEMBL16639013

CC1=NC(N)=CC(C)C1CNC(=O)c1cnn(Cc2cc(C(F)(F)F)c3cc(F)ccc3n2)c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.65

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
SCHEMBL10274519 0.79 KLKB1 (0.57) KLKB1
SCHEMBL553244 0.79 KLKB1 (1.00) KLKB1
SCHEMBL554233 0.79 KLKB1 (1.00) KLKB1
SCHEMBL1912321 0.74 KLKB1 (0.53) KLKB1
SCHEMBL10276713 0.71 KLKB1 (0.58) KLKB1
SCHEMBL10274584 0.67 KLKB1 (0.60) KLKB1
SCHEMBL16628714 0.66 KLKB1 (0.74) KLKB1
SCHEMBL16628821 0.66 KLKB1 (0.74) KLKB1
SCHEMBL554219 0.60 KLKB1 (1.00) KLKB1
SCHEMBL31295333 0.59 P2RX7 (0.43) KLKB1

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-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed