SCHEMBL5229861

SCHEMBL5229861

Cc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(OC(=O)NCCCN(C)C)ccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.45
MAPK14 Q16539 4/20 0.44
THRB P10828 3/20 0.44
GRM4 Q14833 1/20 0.39
KDR P35968 3/20 0.38
GAK O14976 1/20 0.38
RIPK2 O43353 1/20 0.38
MAP4K4 O95819 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR2 P37173 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
TGFB2 P61812 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
COQ8A Q8NI60 1/20 0.38
TNIK Q9UKE5 1/20 0.38
RIPK3 Q9Y572 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
SCHEMBL5235670 0.94 TGFBR1 (0.45) TGFBR1MAPK14THRBGRM4KDR
SCHEMBL5239707 0.93 TGFBR1 (0.46) TGFBR1MAPK14THRBGRM4KDR
SCHEMBL5235742 0.91 TGFBR1 (0.54) TGFBR1MAPK14THRBKDRGAK
SCHEMBL5238981 0.90 TGFBR1 (0.47) TGFBR1MAPK14THRBGRM4KDR
SCHEMBL5231594 0.89 TGFBR1 (0.49) TGFBR1MAPK14THRBKDRGAK
SCHEMBL5236664 0.88 TGFBR1 (0.46) TGFBR1MAPK14THRBGRM4KDR
SCHEMBL412491 0.88 TGFBR1 (0.57) TGFBR1MAPK14THRBKDRGAK
SCHEMBL5238125 0.87 TGFBR1 (0.47) TGFBR1MAPK14THRBGRM4KDR
SCHEMBL5234631 0.86 TGFBR1 (0.47) TGFBR1MAPK14THRBGRM4KDR
SCHEMBL29832378 0.86 TGFBR1 (0.53) TGFBR1MAPK14THRBKDRTGFBR2

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-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP claimed