SCHEMBL8089194

SCHEMBL8089194

Cc1noc(C)c1S(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)Nc4cnn(C)c4)cc3)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.38
TAS2R8 Q9NYW2 1/20 0.37
KDR P35968 4/20 0.36
NTRK1 P04629 3/20 0.36
RET P07949 3/20 0.36
EPHB2 P29323 1/20 0.36
NAMPT P43490 1/20 0.36
PIK3R1 P27986 1/20 0.34
BRD4 O60885 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAP4K1 Q92918 2/20 0.34
GABRA5 P31644 2/20 0.34
CSF1R P07333 3/20 0.33
KIT P10721 3/20 0.33
FLT1 P17948 3/20 0.33
PLK4 O00444 2/20 0.33
AURKA O14965 2/20 0.33
ROCK2 O75116 2/20 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
SCHEMBL4203967 0.84 MTOR (0.53) MTORPIK3R1PIK3CD
SCHEMBL8091534 0.83 NAMPT (0.40) MTORNAMPTPOLBTP53MAPT
SCHEMBL8084284 0.83 NAMPT (0.39) NAMPTPOLBTP53MAPTHPGD
SCHEMBL8091693 0.81 MTOR (0.40) MTORKDRNTRK1RETEPHB2
SCHEMBL8096057 0.80 MTOR (0.43) MTORPIK3CD
SCHEMBL8083835 0.79 MTOR (0.39) MTORKDRNTRK1RETEPHB2
SCHEMBL8089909 0.78 MTOR (0.45) MTORDYRK1APIK3CD
SCHEMBL8099962 0.75 ALDH1A1 (0.45) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL8097088 0.74 TSHR (0.47) NAMPTAURKBALDH1A1TSHRPIK3CD
SCHEMBL4207735 0.73 MTOR (0.46) MTORKDRPIK3R1FGFR1EGFR

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