SCHEMBL7513112

SCHEMBL7513112

C=C(c1ccc(C(=O)OC)cc1)c1nc2ccsc2c(=O)n1-c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
PDE4B Q07343 1/20 0.41
PDE7A Q13946 1/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KIF11 P52732 2/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
S1PR1 P21453 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7520791 0.81 PIK3CD (0.42) PIK3CDPDE4BPDE7APOLBALDH1A1
SCHEMBL7513120 0.81 MAPT (0.53) PIK3CDPDE4BPDE7AKMT2ASMN1; SMN2
SCHEMBL7511216 0.81 PIK3CD (0.47) PIK3CDPDE4BPDE7APOLBALDH1A1
SCHEMBL7514703 0.80 ALDH1A1 (0.44) PIK3CDPDE4BPDE7APOLBALDH1A1
SCHEMBL7511488 0.79 PIK3CD (0.43) PIK3CDPDE4BPDE7APOLBALDH1A1
SCHEMBL7510642 0.79 POLB (0.46) PIK3CDPDE4BPDE7APOLBALDH1A1
SCHEMBL7507689 0.78 RXFP1 (0.44) PDE4BPDE7APOLBALDH1A1KIF11
SCHEMBL7511753 0.77 PIK3CD (0.44) PIK3CDPDE4BPDE7APOLBALDH1A1
SCHEMBL8805022 0.77 PDE7A (0.43) PIK3CDPDE4BPDE7APOLBALDH1A1
SCHEMBL8810900 0.75 PIK3CD (0.42) PIK3CDPDE4BPDE7APOLBALDH1A1

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-0807633-B1 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER (US) 2002-11-06 EP disclosed
EP-0807633-A2 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER INC. (US) 1997-11-19 EP disclosed