SCHEMBL5147362

SCHEMBL5147362

CC(CC1(CC(C)Nc2nccc(-c3cccs3)n2)NC(=O)NC1=O)Nc1nccc(-c2cccs2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 7/20 0.40
MAPT P10636 2/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL5147314 0.85 DHODH (0.41) GSK3BDHODH
SCHEMBL5147414 0.83 ALDH1A1 (0.38) ALDH1A1CDK9HPGDDHODH
SCHEMBL5149008 0.78 DHODH (0.35) KDM4EGSK3AGSK3BCDK5DYRK1A
SCHEMBL5147511 0.76 POLB (0.37) SMN1; SMN2RAB9ANPC1KMT2ACYP1A2
SCHEMBL5147487 0.72 ALOX15 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2ACDK9
SCHEMBL5147359 0.67 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9AGAANPC1
SCHEMBL2989628 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9AGAANPC1
SCHEMBL7471621 0.62 MEN1 (0.59) ALDH1A1SMN1; SMN2RAB9AGAANPC1
SCHEMBL7469184 0.62 SYK (0.54) ALDH1A1SMN1; SMN2RAB9AGAANPC1
SCHEMBL2975042 0.61 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAB9AGAANPC1

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