SCHEMBL21135486

SCHEMBL21135486

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCOCC3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.41
CNR2 P34972 2/20 0.40
PIK3CA P42336 3/20 0.38
MTOR P42345 3/20 0.38
PIK3R1 P27986 2/20 0.38
MAPK14 Q16539 2/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
MAPK9 P45984 1/20 0.38
SETD2 Q9BYW2 1/20 0.38
SYK P43405 1/20 0.37
STAT3 P40763 2/20 0.37
NPY5R Q15761 1/20 0.37
GRIA1 P42261 2/20 0.37
PIKFYVE Q9Y2I7 1/20 0.36
OPRK1 P41145 1/20 0.35

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
SCHEMBL21135407 0.95 PIK3CD (0.44) PIK3CDCNR2PIK3CAMTORPIK3R1
SCHEMBL21135783 0.95 PIK3CD (0.46) PIK3CDCNR2PIK3CAMTORPIK3R1
SCHEMBL21135409 0.94 PIK3CD (0.47) PIK3CDCNR2SETD2STAT3NPY5R
SCHEMBL21135499 0.94 FLT3 (0.41) PIK3CDCNR2PIK3CAMTORPIK3R1
SCHEMBL21135300 0.91 PIKFYVE (0.44) PIK3CDCNR2PIK3CAMTORPIK3R1
SCHEMBL21135404 0.82 PIK3R1 (0.51) PIK3CAMTORPIK3R1SETD2STAT3
SCHEMBL21135293 0.81 MAPT (0.46) PIK3CDPIK3CAMTORPIK3R1SETD2
SCHEMBL21135270 0.78 PTPN11 (0.47) PIK3CDPIK3CAMTORPIK3R1SETD2
SCHEMBL21135197 0.76 PIK3CD (0.52) PIK3CDPIK3R1
SCHEMBL21135840 0.75 MTOR (0.42) PIK3CAMTORPIK3R1SETD2STAT3

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