SCHEMBL19743350

SCHEMBL19743350

CNc1ncnc2[nH]cc(I)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.58
LRRK2 Q5S007 3/20 0.45
TRPA1 O75762 1/20 0.43
PDPK1 O15530 2/20 0.41
PRKD3 O94806 3/20 0.38
MAP4K4 O95819 3/20 0.38
PRKACA P17612 3/20 0.38
CLK2 P49760 3/20 0.38
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
CDK5 Q00535 3/20 0.38
MAP4K2 Q12851 3/20 0.38
DYRK1A Q13627 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK1 P04629 2/20 0.38
ROCK1 Q13464 2/20 0.38
NTRK2 Q16620 2/20 0.38
TAOK1 Q7L7X3 2/20 0.38
PAK4 O96013 1/20 0.38

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
SCHEMBL2537071 0.77 CHEK1 (0.61) CHEK1LRRK2TRPA1PRKD3MAP4K4
SCHEMBL22912722 0.76 CHEK1 (0.66) CHEK1LRRK2TRPA1PDPK1PRKD3
SCHEMBL2544061 0.76 IRAK4 (0.57) CHEK1CLK2CLK4IRAK4IRAK1
SCHEMBL27457717 0.76 EGFR (0.57) CHEK1LRRK2TRPA1MAP4K4PRKACA
SCHEMBL6260067 0.75 CDK1 (0.50) CHEK1LRRK2TRPA1PDPK1PRKD3
SCHEMBL397485 0.75 CHEK1 (0.63) CHEK1LRRK2TRPA1PRKD3MAP4K4
SCHEMBL19913251 0.74 LRRK2 (0.42) LRRK2PDPK1PRKD3MAP4K4PRKACA
SCHEMBL27909334 0.74 BTK (0.53)
SCHEMBL27457718 0.74 AKT1 (0.53) CHEK1LRRK2PRKD3MAP4K4PRKACA
SCHEMBL61206 0.73 CHEK1 (1.00) CHEK1LRRK2TRPA1DYRK1ASTK3

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-3472165-A1 N-(SUBSTITUTED-PHENYL)-SULFONAMIDE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2019-04-24 EP disclosed
WO-2017220477-A1 N-(SUBSTITUTED-PHENYL)-SULFONAMIDE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-12-28 WO disclosed