SCHEMBL30890894

SCHEMBL30890894

N#Cc1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ATM Q13315 1/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
IMPDH2 P12268 1/20 0.41
MAPK1 P28482 2/20 0.40
STAT3 P40763 1/20 0.40
GPR3 P46089 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL16176093 1.00 KDM4E (0.46) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL22079513 0.96 KDM4E (0.43) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL29366189 0.96 KDM4E (0.43) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL16175920 0.96 KDM4E (0.43) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL29413356 0.96 KDM4E (0.43) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL29682014 0.96 KDM4E (0.43) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL26725534 0.96 KDM4E (0.46) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL16176140 0.96 KDM4E (0.46) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL29547447 0.96 KDM4E (0.46) KDM4EL3MBTL1ATMEGFRSRC
SCHEMBL29379975 0.96 KDM4E (0.46) KDM4EL3MBTL1ATMEGFRSRC

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-107739352-B Material for electronic devices 默克专利有限公司 2024-05-14 CN disclosed