SCHEMBL7782574

SCHEMBL7782574

Cc1[nH]c2ccccc2c1C1=C(c2c(CCCC#N)[nH]c3ccccc23)C(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.48
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCD Q05655 2/20 0.42
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GSK3B P49841 1/20 0.37
EGFR P00533 1/20 0.36
PDE9A O76083 1/20 0.36

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
SCHEMBL7785201 0.85 CAMK2D (0.61) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5683201 0.83 CAMK2D (0.50) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5686010 0.82 CAMK2D (0.50) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5682623 0.81 CDK2 (0.56) CAMK2DPRKCACCNA2CDK2CCNT1
SCHEMBL5686050 0.80 CAMK2D (0.57) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL7873230 0.76 CDK4 (0.42) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5683170 0.76 CAMK2D (0.52) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5792870 0.76 KDM4E (0.44) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL6865510 0.75 CDK4 (0.41) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL6867156 0.74 CDK4 (0.40) CAMK2DPRKCBPRKCAPRKCHPRKCE

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-1140070-A1 TREATMENT OF CONDITIONS WITH A NEED FOR THE INHIBITION OF GSK-3 SMITHKLINE BEECHAM PLC (GB) 2001-10-10 EP claimed
WO-2000038675-A1 TREATMENT OF CONDITIONS WITH A NEED FOR THE INHIBITION OF GSK-3 SMITHKLINE BEECHAM PLC (GB) 2000-07-06 WO claimed
EP-1140070-A1 TREATMENT OF CONDITIONS WITH A NEED FOR THE INHIBITION OF GSK-3 SMITHKLINE BEECHAM PLC (GB) 2001-10-10 EP disclosed
WO-2000038675-A1 TREATMENT OF CONDITIONS WITH A NEED FOR THE INHIBITION OF GSK-3 SMITHKLINE BEECHAM PLC (GB) 2000-07-06 WO disclosed