SCHEMBL28232173

SCHEMBL28232173

Clc1ncc2ncn(CCBr)c2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ADRA1A P35348 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RPS6KA3 P51812 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CCR4 P51679 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MET P08581 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL27887450 0.90 FGFR1 (0.38) FGFR1FGFR4KDM4EALDH1A1HPGD
SCHEMBL29141665 0.83 ADORA2A (0.41) FGFR1FGFR4KDM4EALDH1A1HPGD
SCHEMBL27854932 0.81 LMNA (0.45) FGFR1FGFR4KDM4EALDH1A1HPGD
SCHEMBL3157542 0.80 HSD17B10 (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4194087 0.80 LMNA (0.41) FGFR1FGFR4KDM4EALDH1A1HPGD
SCHEMBL28704048 0.80 TK1 (0.43) FGFR1FGFR4KDM4EALDH1A1HPGD
SCHEMBL5839419 0.79 FGFR1 (0.40) FGFR1FGFR4KDM4EALDH1A1HPGD
SCHEMBL29601304 0.75 FGFR1 (0.41) FGFR1FGFR4KDM4EALDH1A1HDAC6
SCHEMBL30586403 0.75 FGFR1 (0.46) FGFR1FGFR4KDM4EALDH1A1HPGD
SCHEMBL27773226 0.75 POLB (0.44) FGFR1FGFR4KDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108314685-A A kind of chloro- 9- of 2- amino -6-(4- acetoxy-3s-acetyl-o-methyl butyl)The preparation method of purine 上药康丽(常州)药业有限公司 2018-07-24 CN claimed
CN-108484605-A A kind of chloro- 9- of 2- amino -6-(4- acetoxy-3s-acetyl-o-methyl butyl)The preparation method of purine 上药康丽(常州)药业有限公司 2018-09-04 CN disclosed
CN-108314685-A A kind of chloro- 9- of 2- amino -6-(4- acetoxy-3s-acetyl-o-methyl butyl)The preparation method of purine 上药康丽(常州)药业有限公司 2018-07-24 CN disclosed