SCHEMBL16585151

SCHEMBL16585151

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 1.00
TSHR P16473 2/20 1.00
NFKB1 P19838 2/20 1.00
BLM P54132 2/20 1.00
PMP22 Q01453 2/20 1.00
ALDH1A1 P00352 1/20 1.00
ADORA3 P0DMS8 5/20 0.83
MAPK1 P28482 2/20 0.73
ADORA1 P30542 2/20 0.73
CYP1A2 P05177 1/20 0.73
MAPT P10636 1/20 0.73
LMNA P02545 1/20 0.73
CYP2D6 P10635 1/20 0.73
PKM P14618 1/20 0.73
ABCG2 Q9UNQ0 1/20 0.73
HTR2C P28335 1/20 0.73
ADORA2A P29274 1/20 0.73
ADORA2B P29275 1/20 0.73
HTR2B P41595 1/20 0.73
RXFP1 Q9HBX9 1/20 0.73

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
SCHEMBL16585460 1.00 CYP3A4 (1.00) CYP3A4TSHRNFKB1BLMPMP22
SCHEMBL29389441 1.00 CYP3A4 (1.00) CYP3A4TSHRNFKB1BLMPMP22
Piclidenoson SCHEMBL29363062 0.91 CYP3A4 (0.84) CYP3A4TSHRNFKB1BLMPMP22
SCHEMBL30255375 0.89 ADORA3 (1.00) CYP3A4TSHRNFKB1BLMPMP22
SCHEMBL29463993 0.88 ADORA3 (0.84) CYP3A4TSHRNFKB1BLMPMP22
SCHEMBL14397196 0.85 CYP3A4 (0.83) CYP3A4TSHRNFKB1BLMPMP22
SCHEMBL13382550 0.85 CYP3A4 (0.83) CYP3A4TSHRNFKB1BLMPMP22
Ib-Meca SCHEMBL8922766 0.84 ADORA3 (1.00) CYP3A4TSHRNFKB1BLMPMP22
Ib-Meca SCHEMBL10089200 0.84 ADORA3 (1.00) CYP3A4TSHRNFKB1BLMPMP22
Ib-Meca SCHEMBL10089244 0.84 ADORA3 (1.00) CYP3A4TSHRNFKB1BLMPMP22

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
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 EP disclosed
US-20160250260-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 US 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