SCHEMBL17442741

SCHEMBL17442741

Nc1cc(CNC(=O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)cn2cncc12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.68
▸ MAP4K1 Q92918 19/20 0.68

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
SCHEMBL17442740 0.87 KLKB1 (0.70) KLKB1MAP4K1
SCHEMBL17442748 0.85 KLKB1 (0.68) KLKB1MAP4K1
SCHEMBL17442738 0.83 KLKB1 (0.69) KLKB1MAP4K1
SCHEMBL18370273 0.81 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL18370935 0.80 KLKB1 (0.65) KLKB1MAP4K1
SCHEMBL18416809 0.79 KLKB1 (0.82) KLKB1MAP4K1
SCHEMBL17442746 0.79 KLKB1 (0.71) KLKB1MAP4K1
SCHEMBL16880964 0.79 KLKB1 (0.83) KLKB1MAP4K1
SCHEMBL18370934 0.79 KLKB1 (0.84) KLKB1MAP4K1
SCHEMBL17442859 0.79 KLKB1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169325-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2017-05-24 — — EP claimed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — WO claimed
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