SCHEMBL24834601

SCHEMBL24834601

CN(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(C)(F)F)nc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.32
BRD4 O60885 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
MAPT P10636 1/20 0.31
P2RX3 P56373 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL24834599 0.94 NLRP3 (0.42) NLRP3SMN1; SMN2TSHRHTTGAA
SCHEMBL24834600 0.87 TSHR (0.36) NLRP3SMN1; SMN2TSHRHTTGAA
SCHEMBL24834529 0.87 NLRP3 (0.52) NLRP3SMN1; SMN2TSHRHTTGAA
SCHEMBL24834575 0.85 NLRP3 (0.51) NLRP3TSHRKMT2ATP53HPGD
SCHEMBL29348126 0.82 NLRP3 (0.44) NLRP3SMN1; SMN2TSHRHTTMAPT
SCHEMBL24834877 0.81 NLRP3 (0.53) NLRP3P2RX3
SCHEMBL24834598 0.81 P2RX3 (0.38) NLRP3SMN1; SMN2TSHRHTTGAA
SCHEMBL24834573 0.79 NLRP3 (0.52) NLRP3KMT2AAKR1B1
SCHEMBL29348128 0.79 NLRP3 (0.46) NLRP3SMN1; SMN2TSHRHTTGAA
SCHEMBL29348127 0.79 NLRP3 (0.46) NLRP3SMN1; SMN2TSHRHTTGAA

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-2023275230-A1 5-OXO-PYRIDO[2,3-D]PYRIDAZIN-6(5H)-YL ACETAMIDES JANSSEN PHARMACEUTICA NV (BE) 2023-01-05 WO disclosed