SCHEMBL21135499

SCHEMBL21135499

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCNCC3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.41
SMYD3 Q9H7B4 2/20 0.40
PIK3CD O00329 4/20 0.40
SYK P43405 2/20 0.39
CNR2 P34972 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HASPIN Q8TF76 1/20 0.37
PIKFYVE Q9Y2I7 1/20 0.37
MAPK14 Q16539 2/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
LCK P06239 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
MAPK9 P45984 1/20 0.37
SETD2 Q9BYW2 1/20 0.36
STAT3 P40763 1/20 0.35
GRIA1 P42261 1/20 0.35

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
SCHEMBL21135486 0.94 PIK3CD (0.41) PIK3CDSYKCNR2PIKFYVEMAPK14
SCHEMBL21135407 0.93 PIK3CD (0.44) PIK3CDSYKCNR2PIKFYVEMAPK14
SCHEMBL21135783 0.93 PIK3CD (0.46) PIK3CDSYKCNR2MAPK14PIK3R1
SCHEMBL21135409 0.92 PIK3CD (0.47) PIK3CDCNR2SETD2STAT3GRIA1
SCHEMBL21135300 0.91 PIKFYVE (0.44) FLT3PIK3CDCNR2PIKFYVEMAPK14
SCHEMBL21135404 0.80 PIK3R1 (0.51) PIK3R1PIK3CAMTORSETD2STAT3
SCHEMBL21055036 0.80 PIKFYVE (0.63) FLT3PIK3CDSYKPIKFYVEPIK3CA
SCHEMBL30312384 0.80 PIKFYVE (0.63) FLT3PIK3CDSYKPIKFYVEPIK3CA
SCHEMBL21135293 0.79 MAPT (0.46) PIK3CDPIKFYVEPIK3R1PIK3CAMTOR
SCHEMBL21135405 0.77 CNR2 (0.36) FLT3PIK3CDCNR2MAPK14PIK3CA

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