SCHEMBL414218

SCHEMBL414218

Cc1cccnc1-c1nn2c(c1-c1ccnc3cc(CCC(=O)N(C)C)ccc13)CCC2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.53
THRB P10828 4/20 0.49
MAPK14 Q16539 4/20 0.49

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
SCHEMBL5236124 0.86 TGFBR1 (0.67) TGFBR1THRBMAPK14
SCHEMBL23851098 0.81 TGFBR1 (0.72) TGFBR1THRBMAPK14
SCHEMBL415073 0.78 TGFBR1 (0.63) TGFBR1THRBMAPK14
SCHEMBL414219 0.77 TGFBR1 (0.43) TGFBR1THRBMAPK14
SCHEMBL413520 0.77 TGFBR1 (0.69) TGFBR1THRBMAPK14
SCHEMBL415074 0.77 TGFBR1 (0.60) TGFBR1THRBMAPK14
SCHEMBL411804 0.76 TGFBR1 (0.68) TGFBR1THRBMAPK14
SCHEMBL415072 0.76 TGFBR1 (0.60) TGFBR1THRBMAPK14
SCHEMBL411445 0.75 TGFBR1 (0.67) TGFBR1THRBMAPK14
SCHEMBL412272 0.74 TGFBR1 (0.71) TGFBR1THRBMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014201133-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-12-18 WO disclosed
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