SCHEMBL21135300

SCHEMBL21135300

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CNC3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 1/20 0.44
FLT3 P36888 2/20 0.40
PIK3R1 P27986 4/20 0.38
PIK3CA P42336 4/20 0.38
MTOR P42345 4/20 0.38
PIK3CD O00329 3/20 0.37
NPY5R Q15761 3/20 0.36
CNR2 P34972 1/20 0.36
SETD2 Q9BYW2 2/20 0.35
STAT3 P40763 2/20 0.35
LCK P06239 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK14 Q16539 1/20 0.34
PBK Q96KB5 1/20 0.34

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
SCHEMBL21135486 0.91 PIK3CD (0.41) PIKFYVEPIK3R1PIK3CAMTORPIK3CD
SCHEMBL21135499 0.91 FLT3 (0.41) PIKFYVEFLT3PIK3R1PIK3CAMTOR
SCHEMBL21135783 0.91 PIK3CD (0.46) PIK3R1PIK3CAMTORPIK3CDNPY5R
SCHEMBL21135407 0.91 PIK3CD (0.44) PIKFYVEPIK3R1PIK3CAMTORPIK3CD
SCHEMBL21135409 0.90 PIK3CD (0.47) PIK3CDNPY5RCNR2SETD2STAT3
SCHEMBL21135404 0.81 PIK3R1 (0.51) PIK3R1PIK3CAMTORNPY5RSETD2
SCHEMBL21135293 0.80 MAPT (0.46) PIKFYVEPIK3R1PIK3CAMTORPIK3CD
SCHEMBL30312364 0.79 PIKFYVE (0.73) PIKFYVEPIK3CAMTORPIK3CD
SCHEMBL21054965 0.79 PIKFYVE (0.73) PIKFYVEPIK3CAMTORPIK3CD
SCHEMBL21135270 0.78 PTPN11 (0.47) PIK3R1PIK3CAMTORPIK3CDSETD2

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