SCHEMBL30853533

SCHEMBL30853533

NC(=O)c1ccc(-n2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 4/20 0.46
PIK3CG P48736 3/20 0.46
SYK P43405 4/20 0.46
HSP90AA1 P07900 2/20 0.43
MAPT P10636 4/20 0.41
EGFR P00533 3/20 0.41
ERBB2 P04626 3/20 0.41
ERBB4 Q15303 3/20 0.41
TP53 P04637 2/20 0.41
JAK3 P52333 2/20 0.39
BTK Q06187 1/20 0.39
RET P07949 1/20 0.39
LMNA P02545 1/20 0.39
HSP90B1 P14625 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
SCHEMBL30853534 0.93 HSP90AA1 (0.51) PIP4K2APIK3CGSYKHSP90AA1MAPT
SCHEMBL30853526 0.93 PIP4K2A (0.46) PIP4K2APIK3CGSYKHSP90AA1TP53
SCHEMBL30853539 0.86 PIP4K2A (0.47) PIP4K2APIK3CGSYKHSP90AA1RET
SCHEMBL30853531 0.86 PIP4K2A (0.47) PIP4K2APIK3CGSYKHSP90AA1EGFR
SCHEMBL30853520 0.86 PIP4K2A (0.45) PIP4K2APIK3CGSYKHSP90AA1EGFR
SCHEMBL30853542 0.86 HSP90AA1 (0.54) PIP4K2APIK3CGHSP90AA1HSP90B1
SCHEMBL30853536 0.85 PIP4K2A (0.45) PIP4K2APIK3CGSYKHSP90AA1TP53
SCHEMBL30853523 0.84 PIP4K2A (0.47) PIP4K2APIK3CGMAPTEGFRTP53
SCHEMBL30853519 0.84 HSP90AA1 (0.43) PIP4K2APIK3CGSYKHSP90AA1MAPT
SCHEMBL30853529 0.84 PIP4K2A (0.51) PIP4K2APIK3CGSYKHSP90AA1TP53

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