SCHEMBL413360

SCHEMBL413360

COc1cc(CNC(=O)Nc2snc(CCc3cccnc3)c2C(N)=O)cc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.74
TGFBR2 P37173 1/20 0.74
NAMPT P43490 11/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ROCK1 Q13464 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL411369 0.85 ACVR2A (1.00) ACVR2ATGFBR2NAMPTL3MBTL1KDM4E
SCHEMBL14490341 0.81 ACVR2A (0.91) ACVR2ATGFBR2NAMPTL3MBTL1KDM4E
SCHEMBL21932072 0.75 ACVR2A (0.80) ACVR2ATGFBR2NAMPTL3MBTL1SMN1; SMN2
SCHEMBL413843 0.75 ACVR2A (0.78) ACVR2ATGFBR2NAMPTKMT2A
SCHEMBL3424283 0.73 ACVR2A (0.64) ACVR2ATGFBR2NAMPTL3MBTL1KDM4E
SCHEMBL447681 0.73 ACVR2A (0.78) ACVR2ATGFBR2NAMPTL3MBTL1SMN1; SMN2
SCHEMBL413784 0.72 ACVR2A (0.75) ACVR2ATGFBR2NAMPTGAAALDH1A1
SCHEMBL411189 0.72 ACVR2A (0.79) ACVR2ATGFBR2NAMPTL3MBTL1SMN1; SMN2
SCHEMBL414392 0.71 ACVR2A (0.76) ACVR2ATGFBR2NAMPTL3MBTL1KDM4E
SCHEMBL411736 0.71 ACVR2A (0.72) ACVR2ATGFBR2NAMPTL3MBTL1SMN1; SMN2

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-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 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