SCHEMBL31147817

SCHEMBL31147817

[2H]C(C)(C)c1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1CCO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.70
MTOR P42345 7/20 0.70
PIK3CD O00329 5/20 0.70
PIK3CG P48736 4/20 0.52
PIK3CB P42338 3/20 0.52
RPTOR Q8N122 1/20 0.52
MLST8 Q9BVC4 1/20 0.52
HDAC1 Q13547 4/20 0.49
PIK3R1 P27986 4/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL31147861 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114177 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL805107 0.78 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1113988 0.77 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114044 0.77 PIK3CA (0.90) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL336657 0.77 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114247 0.75 PIK3CA (0.86) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114156 0.74 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114139 0.73 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL16411763 0.73 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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-4694893-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME Therapeutics LLC (US) 2026-02-18 EP claimed
WO-2024216229-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC (US) 2024-10-17 WO claimed