SCHEMBL4555159

SCHEMBL4555159

Fc1cccc(-n2cnc3[c]nc(N4CCN5CCCC5C4)nc32)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CSNK1D P48730 9/20 0.36
CSNK1E P49674 4/20 0.36
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HDAC4 P56524 1/20 0.35
OGG1 O15527 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL3593099 0.74 CSNK1D (0.44) HRH4CSNK1DCSNK1E
SCHEMBL2773822 0.66 HTT (0.53) SIGMAR1
SCHEMBL2773819 0.66 HTT (0.53) SIGMAR1
SCHEMBL19035631 0.64 DRD2 (0.52) HRH4HRH3
SCHEMBL12663092 0.62 MBTD1 (0.61) HDAC4HRH3
SCHEMBL17127953 0.62 MBTD1 (0.61) HDAC4HRH3
SCHEMBL18427064 0.61 BPTF (0.46) HRH3
SCHEMBL27382018 0.61 HDAC4 (0.47) HRH4KMT2AHDAC4HRH3
SCHEMBL38651777 0.61 HDAC4 (0.47) HRH4KMT2AHDAC4HRH3
SCHEMBL16570211 0.60 HRH3 (0.49) HRH4HDAC4HRH3

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-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO disclosed