SCHEMBL414681

SCHEMBL414681

Cc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(C(=O)NCCO)ccc23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.51
MAPK14 Q16539 5/20 0.44
KDR P35968 3/20 0.44
TGFBR2 P37173 3/20 0.44
GAK O14976 1/20 0.44
RIPK2 O43353 1/20 0.44
MAP4K4 O95819 1/20 0.44
ACVR1B P36896 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
TGFB2 P61812 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
COQ8A Q8NI60 1/20 0.44
TNIK Q9UKE5 1/20 0.44
RIPK3 Q9Y572 1/20 0.44
THRB P10828 4/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL413710 0.95 TGFBR1 (0.49) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL412491 0.92 TGFBR1 (0.57) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL412319 0.92 TGFBR1 (0.61) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL413597 0.90 TGFBR1 (0.48) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL412989 0.89 TGFBR1 (0.47) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL414592 0.89 TGFBR1 (0.47) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL414211 0.88 TGFBR1 (0.53) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL409430 0.88 TGFBR1 (0.49) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL412977 0.88 TGFBR1 (0.51) TGFBR1MAPK14KDRTGFBR2GAK
SCHEMBL412295 0.88 NAMPT (0.50) ALDH1A1

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
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed