SCHEMBL21135849

SCHEMBL21135849

C/C=N/Nc1cn2cc(C(=O)N3CCOCC3)nc2c(N2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.42
MTOR P42345 4/20 0.42
PIK3R1 P27986 10/20 0.39
PIK3CD O00329 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21135852 0.93 PIK3CA (0.39) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL21135850 0.89 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL21135848 0.88 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CDSMN1; SMN2
SCHEMBL21135851 0.87 PIK3CA (0.42) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL23272154 0.83 KDM4E (0.53)
SCHEMBL30312315 0.83 KDM4E (0.53)
SCHEMBL23273021 0.78 MAPT (0.49) PIK3CAPIK3R1PIK3CD
SCHEMBL30312318 0.78 MAPT (0.49) PIK3CAPIK3R1PIK3CD
SCHEMBL23272153 0.73 KDM4E (0.54) PIK3CAMTORPIK3R1
SCHEMBL21054567 0.73 KDM4E (0.54) PIK3CAPIK3R1PIK3CD

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
WO-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed