SCHEMBL10144478

SCHEMBL10144478

COc1cc(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC2CCCC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.49
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
AAK1 Q2M2I8 2/20 0.44
HTR4 Q13639 1/20 0.41
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 2/20 0.39

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
SCHEMBL10143833 0.86 CACNA1B (0.44) CACNA1BHTR4HRH1
SCHEMBL14216100 0.85 HRH2 (0.45) CACNA1BHTR4HRH1
SCHEMBL10143824 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL10143788 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL375994 0.75 CACNA1B (0.49) CACNA1BAAK1
SCHEMBL13543471 0.72 HTR4 (0.45) HTR4KCNH2
SCHEMBL12426368 0.72 HPGDS (0.47) HTR4MEN1KMT2A
SCHEMBL13543713 0.72 TAS1R3 (0.42) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL14066410 0.71 CACNA1B (0.52) CACNA1BAAK1
SCHEMBL8257659 0.71 CACNA1B (0.51) CACNA1BAAK1HRH1

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-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed