SCHEMBL4300310

SCHEMBL4300310

O=C1COc2ccc(Nc3nc(Cl)ncc3F)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.67
JAK1 P23458 1/20 0.49
JAK3 P52333 1/20 0.49
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
MTOR P42345 1/20 0.43
MMP12 P39900 1/20 0.42
TRPV1 Q8NER1 3/20 0.42
KMT2A Q03164 2/20 0.42
EGFR P00533 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL656243 0.91 SYK (0.56) SYKJAK1JAK3EGFR
SCHEMBL17277978 0.87 SYK (0.69) SYKJAK1JAK3MAPTALDH1A1
SCHEMBL12212786 0.83 SYK (0.70) SYKJAK1JAK3MMP12EGFR
SCHEMBL657010 0.83 SYK (0.51) SYKMAPTALDH1A1PIK3CDPIK3R1
SCHEMBL14607335 0.81 SYK (0.67) SYKJAK1JAK3
SCHEMBL13007738 0.81 SYK (0.49) SYKJAK1JAK3EGFR
SCHEMBL656721 0.80 SYK (0.56) SYKJAK1JAK3PIK3CDEGFR
SCHEMBL656578 0.80 SYK (1.00) SYKJAK1JAK3
SCHEMBL656760 0.80 SYK (1.00) SYKJAK1JAK3
SCHEMBL30009410 0.80 SYK (1.00) SYKJAK1JAK3

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-2009127642-A2 USE OF LRRK2 INHIBITORS FOR NEURODEGENERATIVE DISEASES CELLZOME LIMITED (GB) 2009-10-22 WO disclosed