SCHEMBL3412784

SCHEMBL3412784

NCCc1ccc(C(=O)Nc2ccncc2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ROCK2 O75116 5/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
NT5E P21589 2/20 0.49
TP53 P04637 1/20 0.48
JAK2 O60674 1/20 0.48
TYK2 P29597 1/20 0.48
GAA P10253 1/20 0.47
ROCK1 Q13464 1/20 0.47
STAT3 P40763 1/20 0.47

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
SCHEMBL1554115 0.89 ROCK2 (0.61) MAPTPOLBKDM4EL3MBTL1ROCK2
Hydrochloric Acid SCHEMBL6558172 0.88 ROCK2 (0.60) MAPTPOLBKDM4EL3MBTL1ROCK2
SCHEMBL5128486 0.86 KDM4E (0.55) MAPTPOLBKDM4EL3MBTL1ROCK2
SCHEMBL5126387 0.86 KDM4E (0.55) MAPTPOLBKDM4EL3MBTL1ROCK2
SCHEMBL5132595 0.85 KMT2A (0.66) MAPTPOLBKDM4EL3MBTL1ROCK2
SCHEMBL3416255 0.82 POLB (0.62) MAPTPOLBKDM4EL3MBTL1ROCK2
SCHEMBL2955207 0.81 KDM4E (0.68) MAPTPOLBKDM4EL3MBTL1ROCK2
SCHEMBL6683364 0.80 GAA (0.65) MAPTKDM4EL3MBTL1ROCK2KMT2A
SCHEMBL1553020 0.79 KDM4E (0.69) MAPTPOLBKDM4EL3MBTL1ROCK2
Hydrochloric Acid SCHEMBL1396788 0.77 KDM4E (0.67) MAPTPOLBKDM4EL3MBTL1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO disclosed
WO-2010048673-A1 MODULATION OF CELLULAR DIFFERENTIATION AND USES THEREFOR MURDOCH CHILDRENS RESEARCH INSTITUTE (AU) 2010-05-06 WO disclosed
WO-2004062666-A2 USE OF RHO-KINASE INHIBITORRS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA UNIVERSITY COLLEGE LONDON (GB) 2004-07-29 WO disclosed