SCHEMBL19629334

SCHEMBL19629334

C=C[C@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)F)nc(N2CCOC[C@@H]2C)n1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.78
▸ PIK3CA P42336 17/20 0.78
▸ RPTOR Q8N122 7/20 0.78
▸ MLST8 Q9BVC4 7/20 0.78
▸ RICTOR Q6R327 6/20 0.78
▸ MAPKAP1 Q9BPZ7 6/20 0.78
▸ PIK3R1 P27986 7/20 0.59
▸ PIK3CG P48736 2/20 0.55
▸ PIK3CD O00329 1/20 0.54
▸ PIK3CB P42338 1/20 0.54
▸ PIK3C3 Q8NEB9 1/20 0.54

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
SCHEMBL24398697 0.91 MTOR (0.92) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29879987 0.91 MTOR (0.92) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748652 0.91 MTOR (0.92) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748740 0.91 MTOR (0.92) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL21682466 0.88 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748755 0.88 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748759 0.88 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748739 0.83 MTOR (0.87) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748742 0.83 MTOR (0.87) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748707 0.83 MTOR (0.78) MTORPIK3CARPTORMLST8RICTOR

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-3458067-B1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2020-12-30 — — EP disclosed
WO-2017198346-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2017-11-23 — — WO disclosed
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