SCHEMBL8317298

SCHEMBL8317298

Cc1[nH]c2ccccc2c1C1=C(c2c(Cc3ccc(CN)s3)[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 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CCR6 P51684 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHEK1 O14757 1/20 0.35
PARP1 P09874 2/20 0.34
IMPDH2 P12268 1/20 0.34
HTT P42858 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
ALOX15 P16050 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
SCHEMBL8316483 0.85 CAMK2D (0.51) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8578932 0.84 CAMK2D (0.44) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8317078 0.83 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
Hydrochloric Acid SCHEMBL8318720 0.82 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8318435 0.80 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
Hydrochloric Acid SCHEMBL8319148 0.79 CAMK2D (0.47) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8317050 0.79 CAMK2D (0.45) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL7785201 0.78 CAMK2D (0.61) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5686050 0.78 CAMK2D (0.57) CAMK2DPRKCBPRKCAPRKCHPRKCE
Hydrochloric Acid SCHEMBL8319189 0.77 PRKCB (0.49) 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-0925296-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1999-06-30 EP claimed
WO-1998011102-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-03-19 WO claimed
EP-0925296-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1999-06-30 EP disclosed
WO-1998011102-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-03-19 WO disclosed