SCHEMBL407985

SCHEMBL407985

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.46
FYN P06241 9/20 0.42
MAP3K14 Q99558 2/20 0.42
TP53 P04637 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
RAD52 P43351 1/20 0.40
CDC7 O00311 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
IGF1R P08069 1/20 0.39
PARP1 P09874 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 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
SCHEMBL413617 0.89 TGFBR1 (0.50) TGFBR1MAP3K14TP53PIK3CDPIK3R1
SCHEMBL409977 0.89 MAP3K14 (0.45) TGFBR1MAP3K14PIK3CDPIK3R1IGF1R
SCHEMBL409368 0.88 TGFBR1 (0.42) TGFBR1MAP3K14TP53PIK3CDPIK3R1
SCHEMBL27615221 0.88 MAP3K14 (0.41) TGFBR1MAP3K14TP53PIK3CDPIK3R1
SCHEMBL411741 0.88 TGFBR1 (0.47) TGFBR1TP53IGF1R
SCHEMBL411998 0.86 MAP3K14 (0.47) TGFBR1MAP3K14PIK3CDPIK3R1IGF1R
SCHEMBL412286 0.85 NPC1 (0.43) TGFBR1MAP3K14TP53PIK3CDPIK3R1
SCHEMBL412682 0.84 MAP3K14 (0.46) TGFBR1MAP3K14PIK3CDPIK3R1IGF1R
SCHEMBL412220 0.84 TGFBR1 (0.43) TGFBR1MAP3K14TP53PIK3CDPIK3R1
SCHEMBL413826 0.84 AKT1 (0.46) TGFBR1MAP3K14PIK3CDPIK3R1IGF1R

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