SCHEMBL21762783

SCHEMBL21762783

c1cnc2c(c1)SNCC1CCCN21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.45
HTR2C P28335 16/20 0.45
HTR2B P41595 16/20 0.45
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21745068 0.96 HTR2A (0.44) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL21745067 0.96 HTR2A (0.44) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL21745496 0.96 HTR2A (0.44) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL21762403 0.92 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL21762803 0.92 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL21745502 0.80 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL21745501 0.80 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL21745108 0.80 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL21762794 0.77 GAA (0.56) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL21745144 0.77 GAA (0.56) HTR2AHTR2CHTR2BMEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
WO-2020041169-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 WO disclosed