SCHEMBL5147501

SCHEMBL5147501

Fc1ccc(CCc2ncc(-c3nc(Cl)ncc3Br)s2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
QPCT Q16769 1/20 0.32
PTGS2 P35354 2/20 0.31
HTR2A P28223 2/20 0.31
KCNH2 Q12809 2/20 0.31
MET P08581 1/20 0.31
HTR2C P28335 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2983073 0.74 MAPK13 (0.42) ABL1BCRNPC1ALDH1A1MAPT
SCHEMBL2987501 0.73 ABL1 (0.34) ABL1BCR
SCHEMBL2984731 0.69 PDE7A (0.34) ABL1BCRHDAC6KDM4ENPC1
SCHEMBL653889 0.68 APP (0.42) ALDH1A1MAPT
SCHEMBL25128096 0.67 ABL1 (0.40) ABL1BCRMETHTR2CNPC1
SCHEMBL27708241 0.67 ADORA2A (0.40) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL2984648 0.67 CYP2A6 (0.42) PTGS2KDM4EALDH1A1MAPT
SCHEMBL2965386 0.66 ADORA2A (0.50) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL27708240 0.63 BTK (0.30)
SCHEMBL2980750 0.63 HDAC6 (0.43) ABL1BCRHDAC6HPGD

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