SCHEMBL13478461

SCHEMBL13478461

CCOP(=O)(Cc1cnc(NC)cn1)OCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GCK P35557 1/20 0.40
TSHR P16473 1/20 0.34
CCNT1 O60563 5/20 0.32
CDK9 P50750 5/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
PTK2 Q05397 2/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
EGFR P00533 1/20 0.31
PPARD Q03181 1/20 0.31
NPY5R Q15761 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1827920 0.82 GCK (0.46) KDM4EGCKTSHRMAPTHTT
SCHEMBL1107397 0.79 TSHR (0.38) KDM4EGCKTSHRCCNT1CDK9
SCHEMBL1107380 0.78 TSHR (0.36) KDM4EGCKTSHRCCNT1CDK9
SCHEMBL1140072 0.77 GCK (0.43) KDM4EGCKCDK9MAPT
SCHEMBL6061541 0.72 TSHR (0.38) KDM4EGCKTSHRMAPTHTT
SCHEMBL12693702 0.72 HCAR3 (0.34)
SCHEMBL970301 0.71 TSHR (0.36) KDM4ETSHRMAPTHTTPPARD
SCHEMBL17017353 0.71 KDM4E (0.54) KDM4ETSHRMAPTHTT
SCHEMBL30563036 0.70 GBA1 (0.41) KDM4ETSHRMAPT
SCHEMBL1106224 0.70 GBA1 (0.41) KDM4ETSHRMAPT

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-2010013161-A1 FLUORINATED HETEROARYLS PFIZER INC. (US) 2010-02-04 WO disclosed