SCHEMBL14833301

SCHEMBL14833301

COc1ccccc1C(=O)n1nc(C2CN(C(=O)C(C)(C)C)C2)nc1NCc1ccc(Cl)s1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.86
▸ F2 P00734 9/20 0.64
▸ KLK1 P06870 5/20 0.64
▸ F10 P00742 3/20 0.64
▸ PLG P00747 1/20 0.51
▸ F11 P03951 1/20 0.51
▸ CTRB1 P17538 1/20 0.51
▸ CTRL P40313 1/20 0.51
▸ CTRB2 Q6GPI1 1/20 0.51
▸ CTRC Q99895 1/20 0.51

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
SCHEMBL20506164 0.92 KLKB1 (1.00) KLKB1F2KLK1F10PLG
SCHEMBL14833789 0.91 KLKB1 (0.81) KLKB1F2KLK1F10PLG
SCHEMBL14830240 0.91 KLKB1 (1.00) KLKB1F2KLK1F10PLG
SCHEMBL20506477 0.85 KLKB1 (1.00) KLKB1F2KLK1F10PLG
SCHEMBL20506234 0.85 KLKB1 (0.73) KLKB1F2KLK1F10PLG
SCHEMBL14833813 0.85 KLKB1 (0.84) KLKB1F2KLK1F10PLG
SCHEMBL20506340 0.85 KLKB1 (1.00) KLKB1F2KLK1F10PLG
SCHEMBL14833271 0.85 KLKB1 (0.73) KLKB1F2KLK1F10PLG
SCHEMBL20506221 0.85 KLKB1 (0.83) KLKB1F2KLK1F10PLG
SCHEMBL20506410 0.85 KLKB1 (0.73) KLKB1F2KLK1F10PLG

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-2013049591-A2 DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF VERSEON CORPORATION (US) 2013-04-04 — — WO claimed
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