SCHEMBL24690187

SCHEMBL24690187

CN(C)C(=O)c1ccc(-c2cc(N)cc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
MAPT P10636 1/20 0.40
ERN1 O75460 5/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CLK4 Q9HAZ1 4/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 1/20 0.38
CHEK2 O96017 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
USP2 O75604 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 1/20 0.35
ATR Q13535 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL30019952 1.00 LRRK2 (0.42) LRRK2MAPTERN1NCOA1NCOA3
SCHEMBL30955842 0.84 RXRA (0.44) ALDH1A1CSNK2A1
SCHEMBL24690305 0.84 RXRA (0.44) ALDH1A1CSNK2A1
SCHEMBL4029897 0.81 LRRK2 (0.44) LRRK2MAPTERN1NCOA1NCOA3
SCHEMBL30019935 0.78 ERN1 (0.37) LRRK2ERN1NCOA1NCOA3CLK4
SCHEMBL24690188 0.78 ERN1 (0.37) LRRK2ERN1NCOA1NCOA3CLK4
SCHEMBL2513525 0.77 EGFR (0.47) LMNAALDH1A1TSHRHSD17B10
SCHEMBL4029655 0.77 MAPT (0.50) LRRK2MAPTNCOA1NCOA3CLK4
SCHEMBL6160731 0.76 USP2 (0.34) MAPTUSP2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4026769 0.75 MAPT (0.36) LRRK2MAPTNCOA1NCOA3LMNA

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-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed