SCHEMBL30853528

SCHEMBL30853528

COc1ccccc1Nc1ncnc2c1ccn2-c1ccc(C#N)c(NC2CCC(O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 4/20 0.42
PIK3CG P48736 2/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
PRKCQ Q04759 4/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRKCD Q05655 3/20 0.39
CDK7 P50613 1/20 0.38
CDK9 P50750 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
SCHEMBL30853537 0.92 PIP4K2A (0.43) PIP4K2APIK3CGMEN1LMNAKMT2A
SCHEMBL30853538 0.88 PRKCQ (0.44) PIP4K2APIK3CGLMNAPRKCQPRKCD
SCHEMBL30853541 0.85 PIP4K2A (0.44) PIP4K2APIK3CGLMNAPRKCQPRKCD
SCHEMBL30853535 0.85 HSP90AA1 (0.51)
SCHEMBL30853540 0.84 PIP4K2A (0.46) PIP4K2APIK3CGLMNAPRKCQMAPT
SCHEMBL4581033 0.80 HSP90AA1 (0.43) PRKCQMAPK1PRKCDCDK7EGFR
SCHEMBL14197322 0.80 HSP90AA1 (0.43) PRKCQMAPK1PRKCDCDK7EGFR
SCHEMBL30853524 0.79 PIP4K2A (0.44) PIP4K2APIK3CGLMNAKDM4EMAPT
SCHEMBL30853519 0.78 HSP90AA1 (0.43) PIP4K2APIK3CGMEN1LMNAKMT2A
SCHEMBL30853523 0.76 PIP4K2A (0.47) PIP4K2APIK3CGLMNAKDM4EMAPT

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
CN-118047781-A HSP90 inhibitor and preparation method and application thereof 广西大学 2024-05-17 CN disclosed