SCHEMBL21135409

SCHEMBL21135409

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCCC3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
CNR2 P34972 2/20 0.47
STAT3 P40763 2/20 0.42
GRIA1 P42261 1/20 0.41
SETD2 Q9BYW2 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
NPY5R Q15761 2/20 0.38
PLA2G7 Q13093 2/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL21135783 0.99 PIK3CD (0.46) PIK3CDCNR2STAT3GRIA1SETD2
SCHEMBL21135407 0.97 PIK3CD (0.44) PIK3CDCNR2STAT3GRIA1SETD2
SCHEMBL21135486 0.94 PIK3CD (0.41) PIK3CDCNR2STAT3GRIA1SETD2
SCHEMBL21135499 0.92 FLT3 (0.41) PIK3CDCNR2STAT3GRIA1SETD2
SCHEMBL21135300 0.90 PIKFYVE (0.44) PIK3CDCNR2STAT3SETD2NPY5R
SCHEMBL21135489 0.81 PIK3CD (0.64) PIK3CDCNR2STAT3
SCHEMBL21135404 0.80 PIK3R1 (0.51) STAT3SETD2ALDH1A1LMNAHTT
SCHEMBL21135293 0.80 MAPT (0.46) PIK3CDSTAT3GRIA1SETD2HTT
SCHEMBL21055073 0.79 PIKFYVE (0.62) PIK3CDCNR2GAAKMT2ALMNA
SCHEMBL30312463 0.79 PIKFYVE (0.62) PIK3CDCNR2GAAKMT2ALMNA

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