SCHEMBL5147429

SCHEMBL5147429

CC1(C)NC(=O)N(CCNc2ncc(-c3cccc(N)c3)c(-c3ccc(Cl)s3)n2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.37
ABL1 P00519 5/20 0.37
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRAF P15056 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
BPTF Q12830 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
SCHEMBL5149053 0.90 ALDH1A1 (0.41) ADORA1HTTMEN1KMT2AALDH1A1
SCHEMBL5147378 0.90 ADORA1 (0.40) ADORA1ABL1HTTMEN1KMT2A
SCHEMBL2987755 0.86 ADORA1 (0.37) ADORA1ABL1BRAFMAPK1BPTF
SCHEMBL5145833 0.84 ALDH1A1 (0.43) ADORA1ABL1HTTALDH1A1LMNA
SCHEMBL5147280 0.83 BRAF (0.37) ADORA1ABL1HTTMEN1KMT2A
SCHEMBL5146079 0.81 ALDH1A1 (0.38) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL5166707 0.81 CDK1 (0.36) HTTALDH1A1LMNAGAANPC1
SCHEMBL5147347 0.80 ADORA1 (0.38) ADORA1ABL1HTTMEN1KMT2A
SCHEMBL5149006 0.80 ADORA1 (0.39) ADORA1ABL1HTTMEN1KMT2A
SCHEMBL5147476 0.77 HSD17B1 (0.39) ADORA1ABL1HTTBRAFALDH1A1

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