SCHEMBL4349101

SCHEMBL4349101

OCCCn1cc(-c2c[nH]cc2-c2ncc(C(F)(F)F)cc2Cl)c2cccnc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.73
CCNB2 O95067 1/20 0.73
CDK1 P06493 1/20 0.73
CCNB1 P14635 1/20 0.73
CCNA2 P20248 1/20 0.73
CDK2 P24941 1/20 0.73
CCNA1 P78396 1/20 0.73
CCNB3 Q8WWL7 1/20 0.73
PRKCB P05771 7/20 0.50
PRKCA P17252 4/20 0.50
PRKCG P05129 2/20 0.49
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4766853 0.84 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL15524666 0.78 GSK3B (0.72) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL4346710 0.74 GSK3B (0.53) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL4346191 0.73 GSK3B (0.52) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL4350843 0.71 GSK3B (0.52) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL4337838 0.67 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL2983502 0.66 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL5451155 0.66 SMN1; SMN2 (0.52) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL4338729 0.66 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNA2
SCHEMBL5454101 0.66 POLB (0.51) GSK3BCCNB2CDK1CCNB1CCNA2

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