SCHEMBL21135863

SCHEMBL21135863

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCNC3)nc2n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.51
PIK3R1 P27986 2/20 0.42
PIK3CG P48736 2/20 0.42
PBK Q96KB5 2/20 0.41
PARP1 P09874 1/20 0.39

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
SCHEMBL21135489 0.88 PIK3CD (0.64) PIK3CDPIK3R1PIK3CG
SCHEMBL21135197 0.87 PIK3CD (0.52) PIK3CDPIK3R1PIK3CG
SCHEMBL30312505 0.78 PIKFYVE (0.62) PIK3CDPARP1
SCHEMBL21053964 0.78 PIKFYVE (0.62) PIK3CDPARP1
SCHEMBL21135295 0.77 STAT3 (0.50) PIK3CDPIK3R1
SCHEMBL21135499 0.76 FLT3 (0.41) PIK3CDPIK3R1
SCHEMBL21135294 0.76 MAPT (0.44) PIK3CDPIK3CG
SCHEMBL21135300 0.74 PIKFYVE (0.44) PIK3CDPIK3R1PBK
SCHEMBL21135209 0.73 CHEK1 (0.52) PIK3CDPIK3CG
SCHEMBL30312551 0.73 PIKFYVE (0.59) PIK3CD

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