SCHEMBL8090786

SCHEMBL8090786

NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 5/20 0.37
GRM4 Q14833 1/20 0.35
MTOR P42345 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
FAAH O00519 5/20 0.34
EPHX2 P34913 4/20 0.34
F10 P00742 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL8098751 0.90 MTOR (0.40) SGK1MTORNR2E3F10ALDH1A1
SCHEMBL8091143 0.89 KIF11 (0.36) SGK1F10MEN1KMT2AALDH1A1
SCHEMBL8083416 0.89 PIK3R1 (0.39) SGK1F10MEN1KMT2AALDH1A1
SCHEMBL8094263 0.87 PIK3CA (0.40) SGK1MTORNAMPT
SCHEMBL8090244 0.86 MTOR (0.34) MTORKDREPHB4TEK
SCHEMBL8091293 0.86 MAPT (0.42) MTORMEN1KMT2AALDH1A1MAPT
SCHEMBL8083654 0.86 HSD11B1 (0.33) SGK1MTORKDREPHB4TEK
SCHEMBL8096681 0.83 ATR (0.40) MTORMEN1KMT2AALDH1A1MAPT
SCHEMBL8104712 0.82 IDO1 (0.40) SGK1MTORMEN1KMT2AALDH1A1
SCHEMBL8082685 0.82 IDO1 (0.40) SGK1MTORALDH1A1

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed