SCHEMBL8314832

SCHEMBL8314832

CCc1cccc2c(C3=C(c4c(C)[nH]c5ccccc45)C(=O)NC3=O)c(Cc3cccc(CN)c3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.43
PRKCB P05771 7/20 0.40
PRKCA P17252 7/20 0.40
PRKCD Q05655 3/20 0.37
PRKCH P24723 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
HTT P42858 1/20 0.34
NPEPPS P55786 1/20 0.34
CHEK1 O14757 3/20 0.33
WEE1 P30291 2/20 0.33
PARP1 P09874 3/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CCR6 P51684 1/20 0.32

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
Hydrochloric Acid SCHEMBL8317707 0.99 CAMK2D (0.42) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL8317078 0.90 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCDPRKCH
Hydrochloric Acid SCHEMBL8318720 0.89 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL8316483 0.83 CAMK2D (0.51) CAMK2DPRKCBPRKCAPRKCDPRKCH
Hydrochloric Acid SCHEMBL8316493 0.83 CAMK2D (0.42) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL8317092 0.82 ROCK2 (0.45) CAMK2DPRKCBPRKCACHEK1WEE1
SCHEMBL8319658 0.82 ROCK2 (0.45) CAMK2DPRKCBPRKCACHEK1WEE1
Hydrochloric Acid SCHEMBL8319262 0.81 ROCK2 (0.44) CAMK2DPRKCBPRKCACHEK1WEE1
SCHEMBL8314912 0.80 PRKCB (0.42) CAMK2DPRKCBPRKCAPRKCDPRKCH
Hydrochloric Acid SCHEMBL8319189 0.79 PRKCB (0.49) 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 claimed
WO-1998011102-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-03-19 WO claimed