SCHEMBL4663207

SCHEMBL4663207

Nc1ccn(-c2ccc[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33

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
SCHEMBL15575892 0.76
SCHEMBL1038873 0.76
SCHEMBL7972 0.73 MEN1 (0.31) AURKAAURKBINCENP
SCHEMBL3152148 0.69 LMNA (0.35)
SCHEMBL1707247 0.68 KDM4E (0.31) AURKAAURKBINCENP
SCHEMBL2962726 0.67 MCL1 (0.42) AURKAAURKBINCENP
SCHEMBL1351786 0.66 COMT (0.48)
SCHEMBL10370901 0.65 AURKA (0.34) AURKAAURKBINCENP
SCHEMBL27607780 0.64 CYP3A4 (0.48)
SCHEMBL27969159 0.60

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819133-B1 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH BIOSCIENCES INC (US) 2008-01-02 EP claimed
CN-106220615-A Pyrazoles aminopyridine derivative as LRRK2 regulator 霍夫曼-拉罗奇有限公司 2016-12-14 CN disclosed
CN-104271569-B Pyrazolylaminopyrimidine derivatives as LRRK2 modulators 霍夫曼-拉罗奇有限公司 2016-08-24 CN disclosed