SCHEMBL412983

SCHEMBL412983

CC(Oc1nsc(NC(=O)N(C)c2ccccn2)c1C(N)=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.40
TGFBR2 P37173 1/20 0.40
RORC P51449 2/20 0.35
MAPT P10636 2/20 0.34
KCNA5 P22460 2/20 0.34
CYP17A1 P05093 2/20 0.33
CYP19A1 P11511 2/20 0.33
NTRK1 P04629 2/20 0.33
NOX1 Q9Y5S8 3/20 0.33
LRRK2 Q5S007 1/20 0.33
CGAS Q8N884 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK8 P45983 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL412981 0.82 ACVR2A (0.53) ACVR2ATGFBR2MAPTALDH1A1KMT2A
SCHEMBL409761 0.81 ACVR2A (0.47) ACVR2ATGFBR2RORCMAPTCYP17A1
SCHEMBL414121 0.73 ACVR2A (0.53) ACVR2ATGFBR2KMT2A
SCHEMBL3081967 0.67 NTRK1 (0.39) ACVR2ATGFBR2MAPTNTRK1ALDH1A1
SCHEMBL6174538 0.66 ACVR2A (0.44) ACVR2ATGFBR2RORCKCNA5ALDH1A1
SCHEMBL3078380 0.64 ACVR2A (0.50) ACVR2ATGFBR2MAPTNOX1ALDH1A1
SCHEMBL3096057 0.63 RAB9A (0.43) ACVR2ATGFBR2MAPTALDH1A1MEN1
SCHEMBL3359466 0.63 ACVR2A (0.42) ACVR2ATGFBR2NTRK1ALDH1A1
SCHEMBL3078751 0.63 ACVR2A (0.43) ACVR2ATGFBR2NTRK1ALDH1A1
SCHEMBL412782 0.63 ACVR2A (0.71) ACVR2ATGFBR2NTRK1ALDH1A1MAPK8

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