SCHEMBL444200

SCHEMBL444200

Cc1cccc(-c2nc3ccccn3c2-c2cccc(NCCCN3CCCCC3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
HRH3 Q9Y5N1 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ACP1 P24666 9/20 0.41
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL409792 0.88 MKNK1 (0.50) HRH3KDM4EACP1
SCHEMBL29832779 0.88 MKNK1 (0.50) HRH3KDM4EACP1
SCHEMBL412819 0.80 CDK2 (0.44) IRAK4KDM4E
SCHEMBL414313 0.80 CDK2 (0.42) KDM4E
SCHEMBL414092 0.79 KDM4E (0.50) KDM4E
SCHEMBL23855452 0.73 MKNK1 (0.52) HRH3ACP1SIGMAR1
SCHEMBL413527 0.73 TRIM33 (0.54) KDM4E
SCHEMBL413459 0.73 CDK2 (0.46) KDM4E
SCHEMBL415283 0.72 CDK2 (0.49) IRAK4
SCHEMBL411797 0.71 CDK2 (0.44) KDM4E

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