SCHEMBL5147359

SCHEMBL5147359

CC1(C)NC(=O)N(CCNc2nccc(-c3cccs3)n2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 4/20 0.41
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39

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
SCHEMBL5147312 0.85 IKBKB (0.42) ALDH1A1SMN1; SMN2RAB9AKDM4EGSK3B
SCHEMBL2989628 0.84 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2RAB9ANPC1
SCHEMBL5147468 0.83 SMN1; SMN2 (0.40) ALDH1A1GAASMN1; SMN2RAB9ANPC1
SCHEMBL5147268 0.83 CDK2 (0.37) ALDH1A1SMN1; SMN2LMNACDK2CLK1
SCHEMBL5181846 0.83 AKT3 (0.37) ALDH1A1SMN1; SMN2LMNACDK2CLK1
SCHEMBL5147410 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9AKDM4EHPGD
SCHEMBL5147395 0.81 CDK2 (0.38) ALDH1A1SMN1; SMN2KDM4EHSD17B10RAF1
SCHEMBL5147310 0.81 AKT3 (0.36) ALDH1A1SMN1; SMN2CDK2CLK1PLA2G7
SCHEMBL5179013 0.81 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2RAB9ANPC1
SCHEMBL5147497 0.80 AKT3 (0.41) ALDH1A1GAASMN1; SMN2NPC1CDK9

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