SCHEMBL2596741

SCHEMBL2596741

CC(C)(O)Cn1cc2ncc(F)c(Cl)c2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
PTPN11 Q06124 1/20 0.33
TGFBR1 P36897 3/20 0.32
LRRK2 Q5S007 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TLR7 Q9NYK1 3/20 0.31
PDK2 Q15119 1/20 0.30
AURKA O14965 1/20 0.30
JAK1 P23458 1/20 0.30
AURKB Q96GD4 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
CYP3A4 P08684 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
SCHEMBL2596743 0.81 TGFBR1 (0.39) TGFBR1
SCHEMBL2596838 0.78 TGFBR1 (0.44) TGFBR1AURKAJAK1AURKB
SCHEMBL2596981 0.72 TGFBR1 (0.36) PTPN11TGFBR1LRRK2
SCHEMBL2596807 0.71 JAK2 (0.32) FFAR1PTPN11TGFBR1TLR7CYP3A4
SCHEMBL2598413 0.70 LRRK2 (0.39) FFAR1LRRK2TLR7
SCHEMBL2596820 0.65 L3MBTL1 (0.30)
SCHEMBL31586708 0.65 PTPN11 (0.35) FFAR1PTPN11LRRK2TLR7ADORA2A
SCHEMBL30291299 0.64 FFAR1 (0.52) FFAR1LRRK2ALOX5APFEN1PDK2
SCHEMBL15651075 0.63 ADORA2A (0.42) FFAR1LRRK2TLR7ADORA2A
SCHEMBL26388984 0.63 FFAR1 (0.36) FFAR1LRRK2ADORA2A

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-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed