SCHEMBL4337219

SCHEMBL4337219

CN(C)CCCn1nc(-c2c[nH]cc2-c2cn(-c3ccc4ccccc4c3)c3ncccc23)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.60
PRKCG P05129 14/20 0.60
PRKCB P05771 14/20 0.60
PRKCA P17252 14/20 0.60
KCNH2 Q12809 8/20 0.60
PRKCD Q05655 6/20 0.60
PRKCZ Q05513 3/20 0.60
MCHR1 Q99705 1/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL2985115 0.86 GSK3B (0.82) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL13204205 0.84 GSK3B (0.65) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL3774124 0.75 PRKCA (1.00) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL4343044 0.75 GSK3B (0.66) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5803991 0.73 GSK3B (0.83) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5759641 0.73 PRKCA (0.95) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5758194 0.71 GSK3B (0.88) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5758391 0.69 GSK3B (0.90) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5790814 0.69 PRKCA (0.86) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5757630 0.67 GSK3B (0.84) GSK3BPRKCGPRKCBPRKCAKCNH2

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