SCHEMBL22838503

SCHEMBL22838503

Cc1nc(N2CCOCC2)nc(N2C3COCC2COC3)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.48
▸ MTOR P42345 11/20 0.48
▸ PIK3CG P48736 8/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RICTOR Q6R327 1/20 0.46
▸ RPTOR Q8N122 1/20 0.46
▸ MAPKAP1 Q9BPZ7 1/20 0.46
▸ MLST8 Q9BVC4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ PIK3CB P42338 1/20 0.43

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
SCHEMBL9619196 0.84 KDM4E (0.58) PIK3CAMTORPIK3CGSMN1; SMN2MAPK1
SCHEMBL21030137 0.84 MAPT (0.49) PIK3CAMTORPIK3CGSMN1; SMN2MAPK1
SCHEMBL12110268 0.80 KMT2A (0.56) PIK3CAPIK3CGSMN1; SMN2MAPK1LMNA
SCHEMBL29880240 0.78 PIK3CA (0.52) PIK3CAMTORPIK3CGRICTORRPTOR
SCHEMBL1408578 0.78 PIK3CA (0.52) PIK3CAMTORPIK3CGRICTORRPTOR
SCHEMBL23505749 0.78 PIK3CA (0.49) PIK3CAMTORPIK3CGSMN1; SMN2MAPK1
SCHEMBL15386410 0.78 ALDH1A1 (0.62) PIK3CAPIK3CGSMN1; SMN2MAPK1LMNA
SCHEMBL21375722 0.76 PIK3CA (0.47) PIK3CAMTORPIK3CGRICTORRPTOR
SCHEMBL23505765 0.75 MTOR (0.39) PIK3CAMTORPIK3CGRICTORRPTOR
SCHEMBL22838509 0.75 MTOR (0.55) PIK3CAMTORPIK3CGRICTORRPTOR

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-3458067-B1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2020-12-30 — — EP disclosed
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