SCHEMBL17442760

SCHEMBL17442760

COC(=O)c1ccnc(Cc2ccc3c(C)nccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.47
▸ MAP4K1 Q92918 15/20 0.47
▸ DYRK1A Q13627 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM6B O15054 1/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM2A Q9Y2K7 1/20 0.42
▸ KDM3A Q9Y4C1 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL16881369 0.80 KLKB1 (0.43) KLKB1MAP4K1KDM4EALOX15L3MBTL1
SCHEMBL18370920 0.80 KLKB1 (0.51) KLKB1MAP4K1
SCHEMBL17447281 0.79 KLKB1 (0.57) KLKB1MAP4K1
SCHEMBL16891523 0.78 KDM4E (0.49) KLKB1MAP4K1KDM4EALOX15L3MBTL1
SCHEMBL18370186 0.78 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL582010 0.78 KDM5B (0.56) KLKB1MAP4K1KDM4EALOX15L3MBTL1
SCHEMBL16880817 0.77 KDM4E (0.48) KLKB1MAP4K1KDM4EALOX15L3MBTL1
SCHEMBL581173 0.77 KDM5B (0.56) KDM4EALOX15L3MBTL1KDM6BKDM5C
SCHEMBL18371217 0.77 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL17920376 0.77 KLKB1 (0.50) KLKB1MAP4K1KDM4EALOX15KDM6B

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 disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 — — WO disclosed
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