SCHEMBL16297130

SCHEMBL16297130

CCc1cccc(-c2nn3c(c2-c2ccnc4cc(C(=O)O)ccc24)CCC3)n1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.75
MAPK14 Q16539 9/20 0.75
THRB P10828 8/20 0.75
GAK O14976 1/20 0.60
RIPK2 O43353 1/20 0.60
MAP4K4 O95819 1/20 0.60
KDR P35968 1/20 0.60
ACVR1B P36896 1/20 0.60
TGFBR2 P37173 1/20 0.60
CSNK1A1 P48729 1/20 0.60
CSNK1D P48730 1/20 0.60
CSNK1E P49674 1/20 0.60
TGFB2 P61812 1/20 0.60
MINK1 Q8N4C8 1/20 0.60
COQ8A Q8NI60 1/20 0.60
TNIK Q9UKE5 1/20 0.60
RIPK3 Q9Y572 1/20 0.60

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
SCHEMBL415080 0.89 TGFBR1 (0.76) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL373370 0.86 TGFBR1 (1.00) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL16297280 0.86 TGFBR1 (0.68) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL3359415 0.85 TGFBR1 (0.82) TGFBR1MAPK14THRB
SCHEMBL6101234 0.83 TGFBR1 (0.75) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL3360014 0.82 TGFBR1 (0.87) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL414159 0.82 TGFBR1 (0.87) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL410442 0.81 TGFBR1 (0.88) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL16296917 0.80 TGFBR1 (0.49) TGFBR1MAPK14THRBGAKRIPK2
SCHEMBL14464020 0.80 TGFBR1 (0.79) TGFBR1MAPK14THRB

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
WO-2014201133-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-12-18 WO disclosed