SCHEMBL27708347

SCHEMBL27708347

CC1(C)C(O)NC(O)N1CCNc1nccc(-c2cc3cc(NC(=O)Cc4ccncc4)ccc3s2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.41
HDAC1 Q13547 2/20 0.38
CHUK O15111 7/20 0.36
IKBKG Q9Y6K9 7/20 0.36
RAF1 P04049 3/20 0.35
BRAF P15056 3/20 0.35
NPY5R Q15761 2/20 0.34
SYK P43405 2/20 0.34
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCZ Q05513 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ROCK1 Q13464 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
IGF1R P08069 1/20 0.32

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
SCHEMBL27688628 0.95 IKBKB (0.45) IKBKBHDAC1CHUKIKBKGRAF1
SCHEMBL27688581 0.92 IKBKB (0.41) IKBKBHDAC1CHUKIKBKGRAF1
SCHEMBL28770004 0.91 IKBKB (0.39) IKBKBCHUKIKBKGRAF1BRAF
SCHEMBL27688640 0.90 IKBKB (0.42) IKBKBHDAC1CHUKIKBKGSYK
SCHEMBL27688651 0.89 IKBKB (0.39) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL27708383 0.88 IKBKB (0.38) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL27832468 0.87 IKBKB (0.35) IKBKBHDAC1CHUKIKBKGSYK
SCHEMBL28765987 0.87 IKBKB (0.38) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL27688636 0.87 IKBKB (0.38) IKBKBCHUKIKBKGRAF1BRAF
SCHEMBL27688661 0.86 PDGFRB (0.45) IKBKBHDAC1CHUKIKBKGSYK

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