SCHEMBL412220

SCHEMBL412220

Cc1cccc(-c2nc3ccc(C(=O)NCCCN4CCN(C)CC4)cn3c2-c2ccnc(N)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.43
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
DRD3 P35462 1/20 0.42
SMYD2 Q9NRG4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAD52 P43351 2/20 0.39
SHMT2 P34897 1/20 0.39
MAP3K14 Q99558 2/20 0.38
TP53 P04637 2/20 0.38
SLC6A4 P31645 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL27615221 0.87 MAP3K14 (0.41) TGFBR1KDM4EMAP3K14TP53PIK3CD
SCHEMBL409368 0.85 TGFBR1 (0.42) TGFBR1KDM4EMAP3K14TP53PIK3CD
SCHEMBL413617 0.85 TGFBR1 (0.50) TGFBR1KDM4EMAP3K14TP53PIK3CD
SCHEMBL409977 0.85 MAP3K14 (0.45) TGFBR1KDM4EMAP3K14PIK3CDPIK3R1
SCHEMBL407985 0.84 TGFBR1 (0.46) TGFBR1RAD52MAP3K14TP53PIK3CD
SCHEMBL412286 0.82 NPC1 (0.43) TGFBR1KDM4EMAP3K14TP53PIK3CD
SCHEMBL411998 0.82 MAP3K14 (0.47) TGFBR1MAP3K14PIK3CDPIK3R1
SCHEMBL413826 0.81 AKT1 (0.46) TGFBR1KDM4EMAP3K14PIK3CDPIK3R1
SCHEMBL412682 0.80 MAP3K14 (0.46) TGFBR1MAP3K14PIK3CDPIK3R1
SCHEMBL413066 0.80 MAP3K14 (0.45) TGFBR1MAP3K14PIK3CDPIK3R1

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