SCHEMBL29624329

SCHEMBL29624329

N#Cc1ncc(-n2ncc3cccnc32)cn1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
KDM4D Q6B0I6 1/20 0.48
CDK2 P24941 1/20 0.36
RPS6KA5 O75582 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
ELANE P08246 5/20 0.34
TGFBR1 P36897 3/20 0.33
XDH P47989 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
NR3C1 P04150 1/20 0.32
CYP17A1 P05093 1/20 0.32
HIF1A Q16665 1/20 0.31

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
SCHEMBL4201391 0.77 KDM4E (1.00) KDM4EALDH1A1HPGDCYP17A1HIF1A
SCHEMBL30117642 0.74 KDM4E (0.75) KDM4EKDM4DALDH1A1HPGDCYP17A1
SCHEMBL29624191 0.73 KDM4E (0.73) KDM4EALDH1A1HPGDPDE4B
SCHEMBL7701732 0.73 KDM4E (0.73) KDM4EKDM4DCDK2XDHALDH1A1
SCHEMBL21090450 0.72 KDM4E (0.50) KDM4EKDM4DIRAK4
SCHEMBL29387290 0.71 KDM4E (0.51) KDM4EXDHALDH1A1
SCHEMBL18366927 0.71 KDM4E (0.51) KDM4EXDHALDH1A1
SCHEMBL27254297 0.71 KDM4E (0.59) KDM4EKDM4DALDH1A1HPGDCYP17A1
SCHEMBL10176225 0.70 KDM4E (0.67) KDM4EALDH1A1HPGD
SCHEMBL5683198 0.69 KDM4E (0.67) KDM4EKDM4DALDH1A1HPGDIRAK4

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
EP-4003991-A1 HETEROARYL-SUBSTITUTED PYRAZOLO-PYRIDINE PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HepaRegeniX GmbH (DE) 2022-06-01 EP disclosed