SCHEMBL412455

SCHEMBL412455

COc1cc2nc(-c3ccccc3F)nc(Nc3ccccn3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.47
ABCB1 P08183 1/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
EGFR P00533 6/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL4092472 0.83 LMNA (0.67) LMNAMAPTMEN1KMT2ATP53
SCHEMBL1083840 0.73 CYP1A2 (0.62) LMNAMAPTMEN1KMT2ATP53
SCHEMBL13433667 0.73 LMNA (0.54) LMNAMAPTMEN1KMT2ATP53
SCHEMBL16183244 0.70 AURKA (0.60) LMNAMAPTMEN1KMT2ATP53
SCHEMBL1056576 0.70 LMNA (0.67) LMNAMAPTMEN1KMT2ATP53
SCHEMBL14262943 0.69 TGFBR1 (0.61) LMNAMAPTMEN1KMT2ATP53
SCHEMBL16404462 0.68 ABCG2 (0.70) MEN1KMT2AABCG2ABCB1KDR
SCHEMBL16404474 0.68 ABCG2 (0.74) MAPTMEN1KMT2ATP53ABCG2
SCHEMBL2820941 0.68 TRPM8 (0.68) LMNAMAPTMEN1KMT2APOLB
SCHEMBL20266993 0.67 SYK (0.45) LMNAMAPTPOLBEGFRCYP1A2

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
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
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