SCHEMBL17833276

SCHEMBL17833276

CCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3cccc(C)c3)c3c(Cl)cccc23)nc2c(C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 8/20 0.41
FLT3 P36888 2/20 0.40
MELK Q14680 3/20 0.37
BTK Q06187 2/20 0.37
ERBB4 Q15303 2/20 0.37
LYN P07948 1/20 0.37
FGFR1 P11362 1/20 0.37
FER P16591 1/20 0.37
MATK P42679 1/20 0.37
BLK P51451 1/20 0.37
BMX P51813 1/20 0.37
TEK Q02763 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
CAMK1 Q14012 1/20 0.37
CACNA2D1 P54289 3/20 0.36
CSK P41240 1/20 0.36
CAMK1G Q96NX5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL17829837 0.94 CCR4 (0.43) CCR4FLT3MELKBTKERBB4
SCHEMBL17829572 0.94 CCR4 (0.47) CCR4FLT3CACNA2D1
SCHEMBL17833269 0.93 CCR4 (0.41) CCR4FLT3MELKBTKERBB4
SCHEMBL17829803 0.89 CCR4 (0.49) CCR4FLT3CACNA2D1
SCHEMBL17829641 0.87 CCR4 (0.39) CCR4FLT3MELKCACNA2D1
SCHEMBL17829795 0.86 CCR4 (0.47) CCR4FLT3CACNA2D1
SCHEMBL17829797 0.86 FLT3 (0.47) CCR4FLT3CACNA2D1KDM4EALDH1A1
SCHEMBL17829794 0.85 CCR4 (0.44) CCR4FLT3MELKBTKERBB4
SCHEMBL17829799 0.84 CCR4 (0.57) CCR4FLT3CACNA2D1
SCHEMBL17829654 0.84 CCR4 (0.49) CCR4FLT3CACNA2D1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed