SCHEMBL21135404

SCHEMBL21135404

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)Nc3ccccc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 10/20 0.51
PIK3CA P42336 10/20 0.51
MTOR P42345 10/20 0.51
SETD2 Q9BYW2 2/20 0.48
STAT3 P40763 1/20 0.47
NPY5R Q15761 2/20 0.46
KDM4E B2RXH2 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL21135293 0.92 MAPT (0.46) PIK3R1PIK3CAMTORSETD2STAT3
SCHEMBL21135270 0.90 PTPN11 (0.47) PIK3R1PIK3CAMTORSETD2
SCHEMBL21135295 0.82 STAT3 (0.50) PIK3R1PIK3CAMTORSTAT3KDM4E
SCHEMBL21135486 0.82 PIK3CD (0.41) PIK3R1PIK3CAMTORSETD2STAT3
SCHEMBL21135300 0.81 PIKFYVE (0.44) PIK3R1PIK3CAMTORSETD2STAT3
SCHEMBL21135407 0.81 PIK3CD (0.44) PIK3R1PIK3CAMTORSETD2STAT3
SCHEMBL21135783 0.81 PIK3CD (0.46) PIK3R1PIK3CAMTORSETD2STAT3
SCHEMBL21135409 0.80 PIK3CD (0.47) SETD2STAT3NPY5RALDH1A1LMNA
SCHEMBL21054269 0.80 PIKFYVE (0.64) PIK3R1PIK3CAMTORSETD2KDM4E
SCHEMBL30312535 0.80 PIKFYVE (0.64) PIK3R1PIK3CAMTORSETD2KDM4E

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