SCHEMBL13354719

SCHEMBL13354719

C[C@@H]1CC[C@H](NC(=O)c2ccccc2)CN1c1cc(-c2ccc(N)c(F)c2)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 11/20 0.51
▸ AURKB Q96GD4 11/20 0.51
▸ AURKA O14965 7/20 0.51
▸ ROCK1 Q13464 6/20 0.48
▸ TGFBR1 P36897 2/20 0.48
▸ DCK P27707 3/20 0.41
▸ PIK3CG P48736 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ ATR Q13535 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SMYD3 Q9H7B4 2/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL1318488 0.89 PDPK1 (0.48) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12122773 0.88 PDPK1 (0.50) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12122793 0.85 PDPK1 (0.53) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL13354853 0.84 PDPK1 (0.72) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL1317857 0.83 PDPK1 (0.74) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12122694 0.83 PDPK1 (0.58) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL13354798 0.82 PDPK1 (0.53) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL13354766 0.81 PDPK1 (0.62) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL12122780 0.81 PDPK1 (0.71) PDPK1AURKBAURKAROCK1TGFBR1
SCHEMBL13354725 0.80 PDPK1 (0.70) PDPK1AURKBAURKAROCK1TGFBR1

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-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
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