SCHEMBL21135852

SCHEMBL21135852

C/C=N/Nc1cn2cc(C(=O)N3CCNCC3)nc2c(N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.39
MTOR P42345 5/20 0.39
PIK3CD O00329 5/20 0.39
PIK3R1 P27986 9/20 0.38
CDK4 P11802 1/20 0.33
CCND3 P30281 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
SCHEMBL21135849 0.93 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3R1
SCHEMBL21135850 0.84 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3R1
SCHEMBL23273021 0.84 MAPT (0.49) PIK3CAPIK3CDPIK3R1
SCHEMBL30312318 0.84 MAPT (0.49) PIK3CAPIK3CDPIK3R1
SCHEMBL21135848 0.84 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3R1
SCHEMBL21135851 0.83 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3R1
SCHEMBL21135208 0.78 ATR (0.37) PIK3CAMTORPIK3CDCDK4CCND3
SCHEMBL30312315 0.77 KDM4E (0.53)
SCHEMBL23272154 0.77 KDM4E (0.53)
SCHEMBL26078996 0.73 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3R1

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