SCHEMBL21135783

SCHEMBL21135783

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCC3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
CNR2 P34972 2/20 0.46
SETD2 Q9BYW2 1/20 0.41
STAT3 P40763 1/20 0.40
GRIA1 P42261 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
LCK P06239 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
SCHEMBL21135409 0.99 PIK3CD (0.47) PIK3CDCNR2SETD2STAT3GRIA1
SCHEMBL21135407 0.98 PIK3CD (0.44) PIK3CDCNR2SETD2STAT3GRIA1
SCHEMBL21135486 0.95 PIK3CD (0.41) PIK3CDCNR2SETD2STAT3GRIA1
SCHEMBL21135499 0.93 FLT3 (0.41) PIK3CDCNR2SETD2STAT3GRIA1
SCHEMBL21135300 0.91 PIKFYVE (0.44) PIK3CDCNR2SETD2STAT3PIK3R1
SCHEMBL21135404 0.81 PIK3R1 (0.51) SETD2STAT3ALDH1A1LMNAHTT
SCHEMBL21135293 0.80 MAPT (0.46) PIK3CDSETD2STAT3GRIA1HTT
SCHEMBL21135489 0.80 PIK3CD (0.64) PIK3CDCNR2STAT3PIK3R1
SCHEMBL30312442 0.79 PIKFYVE (0.63) PIK3CDGAAKMT2ALMNAPIK3CA
SCHEMBL30312463 0.78 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