SCHEMBL2965992

SCHEMBL2965992

Cc1ncc(S)c(-c2cc3cn(C)nc3nc2-c2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.39
CSNK1D P48730 13/20 0.38
CSNK1E P49674 10/20 0.38
MAPK14 Q16539 5/20 0.38
MAPK11 Q15759 4/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAP4K4 O95819 2/20 0.37
MAPK9 P45984 2/20 0.37
CSNK1A1 P48729 2/20 0.37
EGFR P00533 1/20 0.37
FRK P42685 1/20 0.37
KCNH2 Q12809 2/20 0.36
MAPK10 P53779 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
BRAF P15056 1/20 0.33
NUAK1 O60285 1/20 0.32
ROCK2 O75116 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
SCHEMBL2929315 0.84 CSNK1D (0.37) NTRK1CSNK1DCSNK1EMAPK14MAPK11
SCHEMBL2926320 0.75 MAPK14 (0.64) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1384759 0.73 CSNK1D (0.51) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL2927863 0.71 DYRK1A (0.41) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1384219 0.70 MAPK14 (0.48) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1384763 0.69 MAP4K4 (0.42) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL2932162 0.68 MAPK14 (0.35) NTRK1CSNK1DCSNK1EMAPK14MAP4K4
SCHEMBL1386511 0.67 BRAF (0.46) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL29652643 0.67 MAPK14 (0.47) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL2929949 0.66 NTRK1 (0.41) NTRK1ADORA2AADORA1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed