SCHEMBL31010086

SCHEMBL31010086

CCn1cc(Nc2ncccn2)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.52
CYP1A2 P05177 3/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
COMT P21964 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 1/20 0.37
MYLK2 Q9H1R3 1/20 0.36
CSF1R P07333 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 1/20 0.35
MKNK2 Q9HBH9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
EIF2AK4 Q9P2K8 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
SCHEMBL29856632 0.83 LRRK2 (0.55) LRRK2CYP1A2ALDH1A1LMNACOMT
SCHEMBL25378342 0.77 ALDH1A1 (0.48) LRRK2CYP1A2ALDH1A1LMNACOMT
SCHEMBL17630846 0.76 LRRK2 (0.52) LRRK2CYP1A2ALDH1A1LMNAHTT
SCHEMBL29103216 0.74 ALDH1A1 (0.56) LRRK2CYP1A2ALDH1A1LMNACOMT
SCHEMBL31010151 0.74 ALDH1A1 (0.43) LRRK2CYP1A2ALDH1A1LMNACOMT
SCHEMBL4562366 0.72 LRRK2 (0.69) LRRK2CYP1A2CSF1RMKNK2
SCHEMBL4561033 0.72 LRRK2 (0.69) LRRK2CYP1A2ALDH1A1LMNA
SCHEMBL5021245 0.72 LRRK2 (0.69) LRRK2CYP1A2ALDH1A1LMNA
SCHEMBL4539554 0.71 LRRK2 (0.53) LRRK2CYP1A2ALDH1A1LMNA
SCHEMBL9969926 0.70 LRRK2 (1.00) LRRK2CYP1A2

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
EP-4646410-A1 TUBULIN POLYMERIZATION INHIBITORS AB Science (FR) 2025-11-12 EP disclosed
WO-2024146923-A1 TUBULIN POLYMERIZATION INHIBITORS AB SCIENCE (FR) 2024-07-11 WO disclosed