SCHEMBL27688653

SCHEMBL27688653

CC1(C)C(O)NC(O)N1CCNc1nccc(-c2cc3cc(NC(=O)CCN4CCOCC4)ccc3s2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
EIF2AK2 P19525 3/20 0.39
TERT O14746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPY5R Q15761 1/20 0.37
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.36
SYK P43405 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
SCHEMBL27708226 0.94 MGLL (0.39) IKBKBCHUKIKBKGEIF2AK2MKNK1
SCHEMBL28770004 0.88 IKBKB (0.39) IKBKBCHUKIKBKGSYK
SCHEMBL27688651 0.86 IKBKB (0.39) IKBKBCHUKIKBKGSYK
SCHEMBL2980745 0.85 MAPK3 (0.44) IKBKBCHUKIKBKGEIF2AK2TERT
SCHEMBL27688628 0.85 IKBKB (0.45) IKBKBCHUKIKBKGLMNARAB9A
SCHEMBL27708383 0.85 IKBKB (0.38) IKBKBCHUKIKBKGSYK
SCHEMBL27688650 0.85 IKBKB (0.37) IKBKBCHUKIKBKGTSHRLMNA
SCHEMBL27688661 0.85 PDGFRB (0.45) IKBKBCHUKIKBKGSYK
SCHEMBL27708347 0.84 IKBKB (0.41) IKBKBCHUKIKBKGNPY5RSYK
SCHEMBL27688663 0.84 IKBKB (0.41) IKBKBCHUKIKBKGSYK

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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN disclosed
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN disclosed