SCHEMBL17748700

SCHEMBL17748700

CC1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCNCC2)n1.Nc1ncc(-c2nc(N3CCNCC3)nc(N3CCOCC3)n2)c(C(F)F)n1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.78
▸ PIK3CA P42336 14/20 0.78
▸ PIK3R1 P27986 8/20 0.78
▸ RICTOR Q6R327 3/20 0.78
▸ RPTOR Q8N122 3/20 0.78
▸ MAPKAP1 Q9BPZ7 3/20 0.78
▸ MLST8 Q9BVC4 3/20 0.78
▸ PIK3CG P48736 3/20 0.78
▸ PIK3CD O00329 2/20 0.67
▸ PIK3CB P42338 2/20 0.67
▸ PIK3C3 Q8NEB9 2/20 0.67

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
SCHEMBL17748699 1.00 MTOR (0.78) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL29880467 0.93 MTOR (0.88) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL17748670 0.93 MTOR (0.88) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL17748672 0.93 MTOR (0.88) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL17748742 0.92 MTOR (0.87) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL17748739 0.92 MTOR (0.87) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL17748679 0.88 MTOR (1.00) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL17748680 0.88 MTOR (1.00) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL19629244 0.88 MTOR (1.00) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL29549933 0.88 MTOR (1.00) MTORPIK3CAPIK3R1RICTORRPTOR

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-3218358-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIQUR Therapeutics AG (CH) 2017-09-20 — — EP disclosed
WO-2016075130-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIQUR THERAPEUTICS AG (CH) 2016-05-19 — — WO disclosed
Send feedback