SCHEMBL2835938

SCHEMBL2835938

CCCn1ncc2c(N3CCN(c4ccccc4C#N)CC3)nc(N3CCCC3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.48
SLC2A3 P11169 2/20 0.48
SLC2A2 P11168 1/20 0.48
HRH1 P35367 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
HTR1A P08908 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CSNK2A1 P68400 2/20 0.40
SRC P12931 4/20 0.40
ABL1 P00519 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL2807894 0.73 ALDH1A1 (0.53) HRH1HRH4ALDH1A1HPGDNPSR1
SCHEMBL2809937 0.71 HRH1 (0.44) HRH1HRH4SRCMEN1KMT2A
SCHEMBL2831681 0.70 SIGMAR1 (0.53) HRH1HRH4ALDH1A1NPSR1SRC
SCHEMBL2786942 0.69 HRH4 (0.54) HRH4ALDH1A1HPGDNPSR1SRC
SCHEMBL829177 0.67 AR (0.65) HTR1AADRA1AADRA1BALDH1A1NPSR1
SCHEMBL31388194 0.66 AR (0.62) HTR1AADRA1AADRA1BALDH1A1NPSR1
SCHEMBL7528396 0.66 AR (0.62) HTR1AADRA1AADRA1BALDH1A1NPSR1
SCHEMBL1660394 0.66 AR (0.62) HTR1AADRA1AADRA1BALDH1A1NPSR1
SCHEMBL7524105 0.66 AR (0.62) HTR1AADRA1AADRA1BALDH1A1NPSR1
SCHEMBL2814606 0.65 CDK1 (0.42) ALDH1A1

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-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed