SCHEMBL8317513

SCHEMBL8317513

Cc1[nH]c2ccccc2c1C1=C(c2c(-c3cccc(CN)c3)[nH]c3ccccc23)C(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.50
PRKCB P05771 8/20 0.47
PRKCA P17252 7/20 0.47
PRKCD Q05655 3/20 0.45
PRKCH P24723 2/20 0.45
PRKCE Q02156 2/20 0.45
PRKCQ Q04759 2/20 0.45
CHEK1 O14757 1/20 0.44
WEE1 P30291 1/20 0.44
IMPDH2 P12268 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
PARP1 P09874 1/20 0.38
PTGS2 P35354 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GSK3B P49841 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
SCHEMBL8317078 0.84 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCDPRKCH
Hydrochloric Acid SCHEMBL8318720 0.84 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL8316483 0.81 CAMK2D (0.51) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL5686050 0.80 CAMK2D (0.57) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL15797114 0.79 PRKCB (0.54) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL20243386 0.79 CAMK2D (0.55) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL7525215 0.79 PRKCA (0.53) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL8314832 0.78 CAMK2D (0.43) CAMK2DPRKCBPRKCAPRKCDPRKCH
Hydrochloric Acid SCHEMBL8317707 0.77 CAMK2D (0.42) CAMK2DPRKCBPRKCAPRKCDPRKCH
Hydrochloric Acid SCHEMBL8316493 0.77 CAMK2D (0.42) CAMK2DPRKCBPRKCAPRKCDPRKCH

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 2 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 disclosed
WO-1998011102-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-03-19 WO disclosed