SCHEMBL5147346

SCHEMBL5147346

CC1(C)NC(=O)N(CCNc2ncc(Br)c(-c3nc4ccccc4s3)n2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.37
CDK1 P06493 1/20 0.34
KDR P35968 1/20 0.34
ILK Q13418 4/20 0.34
KDM4E B2RXH2 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NAMPT P43490 1/20 0.33
FASN P49327 1/20 0.33

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
SCHEMBL5147458 0.90 ALDH1A1 (0.35) PSMD14NPC1RAB9AALDH1A1MAPT
SCHEMBL2976413 0.85 CDK1 (0.35) ALDH1A1CDK1KDRILKKDM4E
SCHEMBL5149073 0.84 ILK (0.35) PSMD14NPC1RAB9AALDH1A1CDK1
SCHEMBL2984673 0.81 ILK (0.35) ALDH1A1CDK1KDRILKKDM4E
SCHEMBL2985221 0.80 CDK1 (0.35) NPC1RAB9AALDH1A1LMNACDK1
SCHEMBL5146079 0.79 ALDH1A1 (0.38) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL5149221 0.78 ALDH1A1 (0.39) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL2980677 0.78 SCN9A (0.45) CDK1KDRILKIRAK4AURKA
SCHEMBL5145889 0.77 ALDH1A1 (0.35) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL5147360 0.77 CYP2A6 (0.35) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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