SCHEMBL26388352

SCHEMBL26388352

Cc1nn(CC(F)(F)F)cc1I

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.33
MYLK2 Q9H1R3 2/20 0.33
MARK4 Q96L34 1/20 0.32
HDAC9 Q9UKV0 3/20 0.32
LRRK2 Q5S007 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
STK17B O94768 1/20 0.32
IKBKE Q14164 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
ULK3 Q6PHR2 1/20 0.32
NUAK2 Q9H093 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
PDE10A Q9Y233 1/20 0.31
NIM1K Q8IY84 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
SCHEMBL26388979 0.89 LRRK2 (0.30) LRRK2
SCHEMBL14996621 0.82 PDE10A (0.34) CSF1RMYLK2MARK4HDAC9LRRK2
SCHEMBL1358932 0.81 LRRK2 (0.38) LRRK2PDE10A
SCHEMBL24977209 0.78 HDAC9 (0.31) HDAC9PDE10A
SCHEMBL5021084 0.78 CSF1R (0.34) CSF1RMYLK2MARK4LRRK2MKNK2
SCHEMBL16532100 0.78 MARK4 (0.38) CSF1RMYLK2MARK4HDAC9LRRK2
SCHEMBL25679963 0.78 CSF1R (0.32) CSF1RMYLK2MARK4LRRK2MKNK2
SCHEMBL12871628 0.77 L3MBTL1 (0.42) CSF1RMYLK2MARK4HDAC9LRRK2
SCHEMBL12859176 0.77 LRRK2 (0.33) CSF1RMYLK2MARK4LRRK2MKNK2
SCHEMBL24977207 0.77

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
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed