SCHEMBL28880977

SCHEMBL28880977

C[C@@H]1COCCN1c1nc(Cl)nc2c[c]sc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.45
PIK3CA P42336 7/20 0.40
PIK3R1 P27986 6/20 0.40
ATR Q13535 3/20 0.39
RPTOR Q8N122 6/20 0.37
MLST8 Q9BVC4 6/20 0.37
RICTOR Q6R327 5/20 0.37
MAPKAP1 Q9BPZ7 5/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3C3 Q8NEB9 2/20 0.37

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
SCHEMBL24811121 0.81 ATR (0.57) MTORPIK3CAPIK3R1ATRPIK3CD
SCHEMBL1180995 0.81 ATR (0.57) MTORPIK3CAPIK3R1ATRPIK3CD
SCHEMBL1180994 0.81 ATR (0.57) MTORPIK3CAPIK3R1ATRPIK3CD
SCHEMBL1182984 0.80 MTOR (0.47) MTORPIK3CAPIK3R1ATRRPTOR
SCHEMBL1182986 0.80 MTOR (0.47) MTORPIK3CAPIK3R1ATRRPTOR
SCHEMBL29805712 0.80 MTOR (0.48) MTORPIK3CAPIK3R1ATRRPTOR
SCHEMBL4443778 0.77 MTOR (0.67) MTORPIK3CAPIK3R1
SCHEMBL4443774 0.77 MTOR (0.67) MTORPIK3CAPIK3R1
SCHEMBL11813458 0.77 MTOR (0.46) MTOR
SCHEMBL29805762 0.76 ATR (0.47) MTORATR

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
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed