SCHEMBL21135295

SCHEMBL21135295

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)Nc3ccccc3)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.50
PIK3CA P42336 6/20 0.47
MTOR P42345 6/20 0.47
PIK3R1 P27986 5/20 0.47
CHEK1 O14757 1/20 0.47
PIK3CD O00329 8/20 0.45
KDM4E B2RXH2 1/20 0.42
HIF1A Q16665 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL21135294 0.91 MAPT (0.44) STAT3PIK3CAMTORPIK3CD
SCHEMBL21135209 0.90 CHEK1 (0.52) STAT3PIK3CAMTORCHEK1PIK3CD
SCHEMBL21135404 0.82 PIK3R1 (0.51) STAT3PIK3CAMTORPIK3R1KDM4E
SCHEMBL30312468 0.79 PIKFYVE (0.60) STAT3PIK3CAMTORCHEK1PIK3CD
SCHEMBL21053866 0.79 PIKFYVE (0.60) STAT3PIK3CAMTORCHEK1PIK3CD
SCHEMBL21135489 0.79 PIK3CD (0.64) STAT3PIK3R1PIK3CD
SCHEMBL21135197 0.78 PIK3CD (0.52) PIK3R1PIK3CD
SCHEMBL21135863 0.77 PIK3CD (0.51) PIK3R1PIK3CD
SCHEMBL21135293 0.74 MAPT (0.46) STAT3PIK3CAMTORPIK3R1PIK3CD
SCHEMBL30312519 0.73 PIKFYVE (0.68) PIK3CAMTORCHEK1PIK3CDKDM4E

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