SCHEMBL17836797

SCHEMBL17836797

C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)cc2)nc2c1S(O)(O)CC2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.67
PIK3CA P42336 4/20 0.55
CYP3A4 P08684 2/20 0.55
KCNH2 Q12809 2/20 0.54
RPTOR Q8N122 4/20 0.52
MLST8 Q9BVC4 4/20 0.52
RICTOR Q6R327 1/20 0.52
MAPKAP1 Q9BPZ7 1/20 0.52

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
SCHEMBL14842788 1.00 MTOR (0.67) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL14842783 0.92 MTOR (0.79) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL17836770 0.87 MTOR (0.70) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL17836802 0.87 MTOR (0.59) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL443558 0.86 MTOR (0.63) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL412574 0.86 MTOR (0.63) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL14842910 0.85 MTOR (0.61) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL14843598 0.85 MTOR (0.80) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL14843008 0.85 MTOR (0.59) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL17836768 0.84 MTOR (0.69) MTORPIK3CACYP3A4KCNH2RPTOR

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
EP-2763985-B1 {(4-(4-MORPHOLINO-DIHYDROTHIENO[3,4-D]PYRIMIDIN-2-YL)ARYL}UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LTD (GB) 2016-06-22 EP claimed