SCHEMBL451014

SCHEMBL451014

NC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCC[C@H]1CCCCC[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.59
TGFBR2 P37173 1/20 0.59
KDR P35968 3/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
ROS1 P08922 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL6755933 0.92 ACVR2A (0.61) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL6755939 0.92 ACVR2A (0.61) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL6174452 0.92 ACVR2A (0.61) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL6755936 0.92 ACVR2A (0.61) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL410791 0.92 ACVR2A (0.61) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL413792 0.83 ACVR2A (0.70) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL413844 0.83 ACVR2A (0.60) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL413370 0.82 ACVR2A (0.67) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL410503 0.81 ACVR2A (0.68) ACVR2ATGFBR2KDRPLK4AURKA
SCHEMBL409369 0.79 ACVR2A (0.57) ACVR2ATGFBR2KDRPLK4AURKA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
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
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed