SCHEMBL21135293

SCHEMBL21135293

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)Nc3ccncc3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
PIKFYVE Q9Y2I7 1/20 0.45
MTOR P42345 10/20 0.44
PIK3CA P42336 6/20 0.44
PIK3R1 P27986 4/20 0.44
SETD2 Q9BYW2 2/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
GRIA1 P42261 1/20 0.41
HTT P42858 1/20 0.41
STAT3 P40763 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL21135404 0.92 PIK3R1 (0.51) MAPTMTORPIK3CAPIK3R1SETD2
SCHEMBL21135270 0.89 PTPN11 (0.47) MTORPIK3CAPIK3R1SETD2PIK3CD
SCHEMBL21135294 0.82 MAPT (0.44) MAPTMTORPIK3CAPIK3CDPIK3CG
SCHEMBL21135486 0.81 PIK3CD (0.41) PIKFYVEMTORPIK3CAPIK3R1SETD2
SCHEMBL21135783 0.80 PIK3CD (0.46) MTORPIK3CAPIK3R1SETD2PIK3CD
SCHEMBL21135407 0.80 PIK3CD (0.44) PIKFYVEMTORPIK3CAPIK3R1SETD2
SCHEMBL21135300 0.80 PIKFYVE (0.44) PIKFYVEMTORPIK3CAPIK3R1SETD2
SCHEMBL30312401 0.80 PIKFYVE (0.73) MAPTPIKFYVEMTORPIK3CASETD2
SCHEMBL21054252 0.80 PIKFYVE (0.73) MAPTPIKFYVEMTORPIK3CASETD2
SCHEMBL21135409 0.80 PIK3CD (0.47) SETD2PIK3CDGRIA1HTTSTAT3

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