SCHEMBL3375420

SCHEMBL3375420

c1cc(-c2cnn(C3CCCC3)c2)c2cc[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 3/20 0.64
▸ AURKA O14965 2/20 0.64
▸ INCENP Q9NQS7 2/20 0.64
▸ TPX2 Q9ULW0 2/20 0.64
▸ GRM4 Q14833 1/20 0.56
▸ PIK3C3 Q8NEB9 1/20 0.51
▸ JAK2 O60674 7/20 0.49
▸ JAK3 P52333 4/20 0.49
▸ NUDT1 P36639 2/20 0.49
▸ IKBKB O14920 2/20 0.49
▸ CHUK O15111 2/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PAK4 O96013 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ RET P07949 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ PRKACA P17612 1/20 0.49

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
SCHEMBL99743 0.99 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL29541367 0.99 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
Trifluoroacetic Acid SCHEMBL4082148 0.89 AURKA (0.52) AURKBAURKAINCENPTPX2GRM4
SCHEMBL30008948 0.88 AURKB (0.64) AURKBAURKAINCENPTPX2GRM4
SCHEMBL101352 0.87 AURKB (0.58) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100434 0.86 AURKB (0.59) AURKBAURKAINCENPTPX2GRM4
SCHEMBL16655062 0.84 AURKB (0.57) AURKBAURKAINCENPTPX2GRM4
SCHEMBL27742089 0.84 AURKB (0.57) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100953 0.84 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL101092 0.83 AURKB (0.56) AURKBAURKAINCENPTPX2GRM4

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-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 — — WO disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 — — WO disclosed
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