SCHEMBL4865546

SCHEMBL4865546

Cc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(C(F)(F)F)ccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.59
MAPK14 Q16539 6/20 0.47
THRB P10828 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.41
TGFBR2 P37173 2/20 0.41
GRM4 Q14833 1/20 0.41
KDR P35968 3/20 0.40
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
MAP4K4 O95819 1/20 0.40
ACVR1B P36896 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
TGFB2 P61812 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
COQ8A Q8NI60 1/20 0.40
TNIK Q9UKE5 1/20 0.40
RIPK3 Q9Y572 1/20 0.40

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
SCHEMBL4873429 0.93 TGFBR1 (0.59) TGFBR1MAPK14THRBPTGDR2TGFBR2
SCHEMBL4868709 0.86 TGFBR1 (0.62) TGFBR1MAPK14THRBPTGDR2TGFBR2
SCHEMBL4868143 0.86 TGFBR1 (0.49) TGFBR1MAPK14THRBTGFBR2KDR
SCHEMBL4864323 0.86 TGFBR1 (0.53) TGFBR1MAPK14THRBTGFBR2KDR
SCHEMBL4872102 0.85 TGFBR1 (0.60) TGFBR1MAPK14THRBTGFBR2KDR
SCHEMBL4872804 0.85 TGFBR1 (0.46) TGFBR1MAPK14THRBTGFBR2KDR
SCHEMBL4863433 0.84 TGFBR1 (0.58) TGFBR1MAPK14THRBTGFBR2GRM4
SCHEMBL4869303 0.83 TGFBR1 (0.49) TGFBR1MAPK14THRBTGFBR2KDR
SCHEMBL412610 0.83 TGFBR1 (0.46) TGFBR1MAPK14THRBTGFBR2KDR
SCHEMBL4864349 0.83 TGFBR1 (0.65) TGFBR1MAPK14THRBTGFBR2GRM4

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
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US claimed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed