SCHEMBL28616749

SCHEMBL28616749

NC(=O)c1ccc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.50
PIP4K2A P48426 5/20 0.43
PIP4K2B P78356 5/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4375500 0.94 ABL1 (0.47) PIP4K2CABL1BCRMAPTKDM4E
SCHEMBL28621552 0.94 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVEAURKA
SCHEMBL1242034 0.93 PIP4K2C (0.49) PIP4K2CPIP4K2APIP4K2BPIKFYVEAURKA
Benzamide SCHEMBL28526510 0.93 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVEAURKA
SCHEMBL1243893 0.93 PIP4K2C (0.51) PIP4K2CPIP4K2APIP4K2BPIKFYVEAURKA
SCHEMBL1244440 0.91 PIP4K2C (0.49) PIP4K2CPIP4K2APIP4K2BPIKFYVEMAPT
SCHEMBL1244422 0.90 KDM4E (0.54) PIP4K2CPIP4K2APIP4K2BPIKFYVEMAPT
SCHEMBL1243665 0.90 PIP4K2C (0.49) PIP4K2CPIP4K2APIP4K2BPIKFYVEABL1
SCHEMBL1244613 0.89 PIP4K2C (0.51) PIP4K2CPIP4K2APIP4K2BPIKFYVEMAPT
SCHEMBL1244323 0.89 PIP4K2C (0.47) PIP4K2CPIP4K2APIP4K2BPIKFYVEAURKA

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-113365610-A Methods of making and delivering bisantrene formulations 现代化制药公司 2021-09-07 CN disclosed