SCHEMBL21187388

SCHEMBL21187388

N[C@H]1CC[C@@H](Nc2cc(N3CCOCC3)cc3c2CCCCCCN3)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.35
SYK P43405 1/20 0.35
TTK P33981 6/20 0.34
ALOX5 P09917 4/20 0.33
GAA P10253 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
PIK3CB P42338 1/20 0.33
MAPK8 P45983 1/20 0.33
PTK2 Q05397 1/20 0.33
ADORA3 P0DMS8 3/20 0.32
MEN1 O00255 1/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
KMT2A Q03164 1/20 0.32
AURKB Q96GD4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AURKC Q9UQB9 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
SCHEMBL21187323 0.90 TTK (0.34) TTKALOX5GAAPIK3CBMAPK8
SCHEMBL21187279 0.74 PRKDC (0.39) FLT3PIK3CBMEN1KMT2AMAPT
SCHEMBL21187390 0.74 MAPT (0.35) FLT3MEN1KMT2AMAPTKDM4E
SCHEMBL21187280 0.71 TBK1 (0.33) SYKTTK
SCHEMBL16091551 0.70 SYK (0.43) FLT3SYKHRH4
SCHEMBL21271405 0.70 SYK (0.43) FLT3SYKHRH4
SCHEMBL29578976 0.70 SYK (0.43) FLT3SYKHRH4
SCHEMBL25041488 0.68 TTK (0.46) FLT3SYKTTKGAAMEN1
SCHEMBL21278966 0.65 TTK (0.43) SYKTTKALOX5GAAADORA3
SCHEMBL25039362 0.62 FLT3 (0.48) FLT3SYKGAAADORA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed