SCHEMBL4354893

SCHEMBL4354893

O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 1.00
PRKCB P05771 10/20 0.77
PRKCA P17252 5/20 0.76
PRKCG P05129 3/20 0.76
CAMK2D Q13557 1/20 0.63
IDH1 O75874 1/20 0.61
CCNB2 O95067 2/20 0.61
CDK1 P06493 2/20 0.61
CCNB1 P14635 2/20 0.61
CCNA2 P20248 2/20 0.61
CDK2 P24941 2/20 0.61
CCNA1 P78396 2/20 0.61
CCNB3 Q8WWL7 2/20 0.61
RPS6KA3 P51812 1/20 0.61

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
SCHEMBL462891 0.89 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2984397 0.88 GSK3B (0.82) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2985656 0.87 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2982248 0.87 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL1128129 0.87 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2983502 0.86 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2982364 0.86 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGCAMK2D
SCHEMBL2972351 0.86 GSK3B (0.75) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2981051 0.86 GSK3B (0.75) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL13204161 0.86 GSK3B (0.75) GSK3BPRKCBPRKCAPRKCGIDH1

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-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP disclosed
US-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-20140080210-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. (US) 2014-03-20 US disclosed
US-8623648-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2014-01-07 US disclosed
EP-2664669-A1 Treatment of pluripotent cells Janssen Biotech, Inc. (US) 2013-11-20 EP disclosed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed
EP-1900738-A2 Substituted pyrroline kinase inhibitors Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed