SCHEMBL23200413

SCHEMBL23200413

Cn1ncc2c(N3CCOCC3)nc(-c3ccc(O)cc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.57
MTOR P42345 16/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PIK3CG P48736 4/20 0.51
PIK3CD O00329 1/20 0.51
MAPK14 Q16539 1/20 0.50
CSNK1G1 Q9HCP0 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PDE10A Q9Y233 1/20 0.48
PIK3R1 P27986 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
SCHEMBL12684765 0.86 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL20914997 0.81 PIK3CA (0.60) PIK3CAMTORMEN1KMT2APIK3CG
SCHEMBL13828360 0.81 MEN1 (0.62) PIK3CAMTORMEN1KMT2APIK3CG
SCHEMBL13828335 0.78 MEN1 (0.62) PIK3CAMTORMEN1KMT2APDE10A
SCHEMBL19119327 0.77 HRH1 (0.68) PIK3CAMTORMEN1KMT2APDE10A
SCHEMBL12264971 0.77 MEN1 (0.63) PIK3CAMEN1KMT2APDE10A
SCHEMBL3987061 0.76 MTOR (0.85) PIK3CAMTORPIK3CGMAPK14CSNK1G1
Acetic Acid SCHEMBL27773570 0.76 MTOR (0.74) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL13828373 0.76 MEN1 (0.62) PIK3CAMTORMEN1KMT2APDE10A
SCHEMBL12264967 0.76 KMT2A (0.62) PIK3CAMEN1KMT2APDE10A

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-3802826-A1 METHODS AND COMPOSITIONS FOR EFFICIENT GENE DELETION CRISPR Therapeutics AG (CH) 2021-04-14 EP claimed