SCHEMBL5149073

SCHEMBL5149073

CC1(C)CN(CCNc2ncc(Br)c(-c3nc4ccccc4s3)n2)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ILK Q13418 4/20 0.35
IRAK4 Q9NWZ3 7/20 0.35
CDK1 P06493 1/20 0.34
KDR P35968 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PSMD14 O00487 1/20 0.34
PLA2G7 Q13093 1/20 0.33
AURKA O14965 1/20 0.33
FLT4 P35916 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL2984673 0.85 ILK (0.35) ILKIRAK4CDK1KDRAURKA
SCHEMBL5149156 0.84 MERTK (0.35) PLA2G7
SCHEMBL5147346 0.84 PSMD14 (0.41) ILKIRAK4CDK1KDRNPC1
SCHEMBL2980677 0.84 SCN9A (0.45) ILKIRAK4CDK1KDRAURKA
SCHEMBL2976413 0.83 CDK1 (0.35) ILKIRAK4CDK1KDRALDH1A1
SCHEMBL2985221 0.80 CDK1 (0.35) ILKIRAK4CDK1KDRNPC1
SCHEMBL5147458 0.74 ALDH1A1 (0.35) NPC1RAB9APSMD14PLA2G7ALDH1A1
SCHEMBL2979975 0.73 CDC7 (0.31) KDR
SCHEMBL2982366 0.69 MERTK (0.34)
SCHEMBL2985538 0.67 SCN9A (0.42) IRAK4ALDH1A1

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