SCHEMBL4346191

SCHEMBL4346191

OCCCn1cc(-c2c[nH]cc2-c2cn(CCO)cn2)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.52
PRKCB P05771 8/20 0.51
PRKCA P17252 4/20 0.48
PRKCG P05129 2/20 0.48
CCNB2 O95067 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
RPS6KA3 P51812 1/20 0.40
IDH1 O75874 1/20 0.39
TYK2 P29597 1/20 0.38

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
SCHEMBL4346710 0.97 GSK3B (0.53) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL15524666 0.82 GSK3B (0.72) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL2972351 0.82 GSK3B (0.75) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL4350843 0.81 GSK3B (0.52) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL2982248 0.78 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL13204161 0.76 GSK3B (0.75) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL4349101 0.73 GSK3B (0.73) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL13204159 0.70 GSK3B (0.57) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL20688049 0.69 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL2984397 0.68 GSK3B (0.82) GSK3BPRKCBPRKCAPRKCGCCNB2

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-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
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed