SCHEMBL5147366

SCHEMBL5147366

CC(CC1(CC(C)Nc2nccc(-c3cc4cc(N)ccc4s3)n2)NC(=O)NC1=O)Nc1nccc(-c2cc3cc(N)ccc3s2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.34
CHUK O15111 4/20 0.33
IKBKG Q9Y6K9 4/20 0.33
DHODH Q02127 1/20 0.33
AKT3 Q9Y243 3/20 0.33
MAPT P10636 2/20 0.32
AURKA O14965 2/20 0.31
TTK P33981 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
CDK4 P11802 2/20 0.31
CDK2 P24941 2/20 0.31
CDK1 P06493 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL5147511 0.86 POLB (0.37) IKBKBCHUKIKBKGDHODHAURKA
SCHEMBL5147314 0.82 DHODH (0.41) IKBKBDHODHAKT3
SCHEMBL5147362 0.78 ALDH1A1 (0.43) DHODHMAPTCDK9
SCHEMBL5149008 0.76 DHODH (0.35) DHODHAURKAAURKBCDK2CDK1
SCHEMBL5147445 0.76 AKT3 (0.40) DHODHAKT3
SCHEMBL5147389 0.74 DHODH (0.34) IKBKBDHODHAKT3
SCHEMBL5147414 0.74 ALDH1A1 (0.38) DHODHAURKAAURKBCDK4CDK2
SCHEMBL5147363 0.71 IKBKB (0.36) IKBKBCHUKIKBKGAKT3AURKA
SCHEMBL2984656 0.70 MAPK3 (0.37) IKBKBCHUKIKBKGAKT3MAPT
SCHEMBL5147487 0.69 ALOX15 (0.34) CDK4CDK2CDK1CDK7CDK9

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-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed