SCHEMBL30684162

SCHEMBL30684162

CC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1N=C=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.36
NPY5R Q15761 2/20 0.35
MAPK1 P28482 1/20 0.34
AAK1 Q2M2I8 1/20 0.32
NLRP3 Q96P20 5/20 0.32
XDH P47989 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PIK3R2 O00459 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
SCHEMBL20609767 1.00 MYC (0.36) MYCNPY5RMAPK1AAK1NLRP3
SCHEMBL25144764 0.84 MYC (0.37) MYCNPY5RAAK1XDHABCG2
SCHEMBL30684090 0.82 NLRP3 (0.42) AAK1NLRP3
SCHEMBL20609769 0.82 NLRP3 (0.42) AAK1NLRP3
SCHEMBL29109512 0.82 NLRP3 (0.37) NLRP3
SCHEMBL20743017 0.81 MAPK13 (0.39) NLRP3
SCHEMBL30684153 0.81 MAPK13 (0.39) NLRP3
SCHEMBL22280264 0.81 NPY5R (0.39) MYCNPY5RMAPK1AAK1NLRP3
SCHEMBL22280012 0.81 NPY5R (0.39) MYCNPY5RMAPK1AAK1NLRP3
SCHEMBL20609873 0.80 MYC (0.39) MYCNPY5RMAPK1AAK1NLRP3

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-111132974-B Sulfonamide carboxamide compounds 英夫拉索姆有限公司 2023-11-21 CN disclosed