SCHEMBL5147378

SCHEMBL5147378

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.40
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
FGFR1 P11362 3/20 0.34
ABL1 P00519 2/20 0.33
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPK14 Q16539 1/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
FYN P06241 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 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 0.91 ALDH1A1 (0.41) ADORA1ALDH1A1HTTADORA2AMEN1
SCHEMBL5147429 0.90 ADORA1 (0.37) ADORA1ALDH1A1HTTABL1MEN1
SCHEMBL2981953 0.87 ADORA1 (0.41) ADORA1FGFR1ABL1EGFRPDGFRB
SCHEMBL5145833 0.85 ALDH1A1 (0.43) ADORA1ALDH1A1HTTABL1ADORA2A
SCHEMBL5147347 0.81 ADORA1 (0.38) ADORA1ALDH1A1HTTFGFR1ABL1
SCHEMBL5146079 0.81 ALDH1A1 (0.38) ALDH1A1HTTMEN1KMT2AMAPK1
SCHEMBL5149006 0.81 ADORA1 (0.39) ADORA1ALDH1A1HTTFGFR1ABL1
SCHEMBL5145850 0.78 HSD17B1 (0.38) ADORA1ALDH1A1HTTFGFR1ABL1
SCHEMBL5147476 0.78 HSD17B1 (0.39) ADORA1ALDH1A1HTTFGFR1ABL1
SCHEMBL2981681 0.78 ADORA1 (0.39) ADORA1FGFR1ABL1EGFRMAPK14

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