SCHEMBL23950836

SCHEMBL23950836

Cc1nn(CC(=O)NC2CN(C(c3ccccc3)c3cncnc3)C2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
NLRP3 Q96P20 1/20 0.42
POLB P06746 1/20 0.42
UBE2N P61088 1/20 0.40
TP53 P04637 2/20 0.40
CHRNA7 P36544 4/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNA3 P32297 1/20 0.37
HTR3A P46098 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL25753085 1.00 THRB (0.45) THRBNLRP3POLBUBE2NTP53
SCHEMBL23950845 0.85 THRB (0.43) THRBNLRP3POLBUBE2NTP53
SCHEMBL25754628 0.74 NLRP3 (0.50) THRBNLRP3POLBUBE2NTP53
SCHEMBL25753044 0.74 THRB (0.47) THRBNLRP3POLBUBE2NTP53
SCHEMBL23950819 0.74 THRB (0.48) THRBNLRP3POLBUBE2NTP53
SCHEMBL25753079 0.73 NLRP3 (0.45) THRBNLRP3POLBUBE2NTP53
SCHEMBL23950187 0.73 POLB (0.46) THRBNLRP3POLBUBE2NKMT2A
SCHEMBL23950404 0.71 NLRP3 (0.54) THRBNLRP3POLBUBE2NKMT2A
SCHEMBL23950419 0.71 THRB (0.45) THRBNLRP3POLBUBE2NTP53
SCHEMBL25753019 0.71 KMT2A (0.69) POLBUBE2NTP53KMT2ATDP1

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
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO disclosed