SCHEMBL5683170

SCHEMBL5683170

Cc1[nH]c2ccc(-c3ccccc3)cc2c1C1=C(c2c(CCCN)[nH]c3ccccc23)C(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 8/20 0.52
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
GSK3B P49841 1/20 0.35
PTGS2 P35354 2/20 0.34
MCL1 Q07820 1/20 0.34
PARP1 P09874 2/20 0.34
IMPDH2 P12268 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CCR6 P51684 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL5792870 0.90 KDM4E (0.44) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL7785201 0.90 CAMK2D (0.61) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5686034 0.82 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5686010 0.78 CAMK2D (0.50) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5683201 0.77 CAMK2D (0.50) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL7782574 0.76 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL15797114 0.76 PRKCB (0.54) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5682527 0.74 KCNH2 (0.46) CAMK2DHTR6PARP1
SCHEMBL5682670 0.74 KCNH2 (0.46) CAMK2DHTR6PARP1
SCHEMBL5686050 0.74 CAMK2D (0.57) 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-1636388-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY Wyeth (US) 2006-03-22 EP disclosed
WO-2005028678-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH (US) 2005-03-31 WO disclosed