SCHEMBL2804830

SCHEMBL2804830

COc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3CCc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.73
HTR2C P28335 4/20 0.60
SRC P12931 10/20 0.57
ABL1 P00519 3/20 0.57
HCK P08631 1/20 0.51
PIM1 P11309 1/20 0.51
HTR2A P28223 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2784908 0.89 SRC (0.59) PIK3CAHTR2CSRCABL1HCK
SCHEMBL13944347 0.85 PIK3CA (1.00) PIK3CAHTR2CSRCHTR2A
SCHEMBL2810687 0.80 PIK3CA (0.54) PIK3CAHTR2CSRCABL1ALDH1A1
SCHEMBL2807943 0.79 SRC (0.68) PIK3CAHTR2CSRCABL1HCK
SCHEMBL2788589 0.79 SRC (0.68) PIK3CAHTR2CSRCABL1HCK
SCHEMBL13943299 0.79 HTR2C (0.88) PIK3CAHTR2CHTR2A
SCHEMBL13944746 0.79 HTR2C (0.77) PIK3CAHTR2CHTR2A
SCHEMBL2871542 0.76 PDE5A (0.51) HTR2CSRCABL1ALDH1A1HSD17B10
SCHEMBL13944361 0.76 PIK3CA (1.00) PIK3CAHTR2CHTR2A
SCHEMBL3757023 0.76 HTR2C (1.00) PIK3CAHTR2CHTR2A

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