SCHEMBL7511488

SCHEMBL7511488

C=C(c1ccccc1Br)c1nc2ccsc2c(=O)n1-c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE7A Q13946 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7514703 0.88 ALDH1A1 (0.44) PIK3CDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7510642 0.88 POLB (0.46) PIK3CDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7520791 0.86 PIK3CD (0.42) PIK3CDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL8805022 0.85 PDE7A (0.43) PIK3CDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7511216 0.83 PIK3CD (0.47) PIK3CDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7511753 0.80 PIK3CD (0.44) PIK3CDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7513112 0.79 PIK3CD (0.42) PIK3CDALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL8810900 0.77 PIK3CD (0.42) PIK3CDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7521413 0.77 POLB (0.42) PIK3CDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7512387 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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