SCHEMBL28948286

SCHEMBL28948286

O=c1ccn2ncc(Br)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.42
HCAR1 Q9BXC0 11/20 0.36
CRBN Q96SW2 3/20 0.34
AXL P30530 1/20 0.34
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DDB1 Q16531 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL31001803 0.81 HCAR1 (0.36) PLATHCAR1CRBNDDB1
SCHEMBL14269847 0.78 CRBN (0.38) HCAR1CRBNIRAK4
SCHEMBL10190930 0.78 CRBN (0.34) PLATHCAR1CRBNDDB1IRAK4
SCHEMBL406392 0.74 PLAT (0.46) PLATALDH1A1IRAK4
SCHEMBL17821034 0.74 PLAT (0.46) PLATCRBNALDH1A1SMN1; SMN2
SCHEMBL23948426 0.70 TDO2 (0.40) HCAR1NPC1ALDH1A1LMNAMAPT
SCHEMBL15261212 0.68 PLAT (0.53) PLATNPC1ALDH1A1LMNAMAPT
SCHEMBL23948296 0.68 TDO2 (0.41) PLATHCAR1CRBNALDH1A1MAPT
SCHEMBL23947915 0.66 HCAR1 (0.36) PLATHCAR1
SCHEMBL103383 0.66 PLAT (0.56) PLATHCAR1NPC1RAB9A

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
CN-115677705-A AAK1 inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2023-02-03 CN disclosed
CN-115677729-A AAK1 inhibitors 武汉人福创新药物研发中心有限公司 2023-02-03 CN disclosed