SCHEMBL19743349

SCHEMBL19743349

Nc1ncnc2[nH]cc(CI)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
RET P07949 2/20 0.38
TRPA1 O75762 1/20 0.36
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MTAP Q13126 5/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PRKDC P78527 2/20 0.33
PI4KA P42356 2/20 0.32
XDH P47989 2/20 0.32
LRRK2 Q5S007 2/20 0.32
PI4K2B Q8TCG2 2/20 0.32
PI4K2A Q9BTU6 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
LMNA P02545 1/20 0.32
DRD3 P35462 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
SCHEMBL25776394 0.81 TRPA1 (0.51) CHEK1RETTRPA1MAP3K7TAB1
SCHEMBL28057853 0.77 TRPA1 (0.36) CHEK1RETTRPA1MAP3K7TAB1
SCHEMBL28826847 0.75 TRPA1 (0.35) CHEK1RETTRPA1MAP3K7TAB1
SCHEMBL27975802 0.75 MAP3K7 (0.41) RETTRPA1MAP3K7TAB1MTAP
SCHEMBL20125404 0.75 JAK3 (0.43) CHEK1RETTRPA1MAP3K7TAB1
SCHEMBL5805420 0.74 RET (0.43) CHEK1RETMAP3K7TAB1IRAK4
SCHEMBL30052782 0.72 RET (0.42) CHEK1RETTRPA1IRAK4PI4KA
SCHEMBL6531144 0.72 RET (0.42) CHEK1RETTRPA1IRAK4PI4KA
SCHEMBL23735452 0.71 CHEK1 (0.48) CHEK1RETTRPA1PI4KAXDH
SCHEMBL868756 0.71 RET (0.41) CHEK1RETIRAK4PI4KAXDH

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