SCHEMBL30368345

SCHEMBL30368345

CC(=O)Nc1cc(NC(=O)Cc2cccc(C)c2C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.52
TYK2 P29597 4/20 0.52
JAK1 P23458 3/20 0.52
ANO1 Q5XXA6 5/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NUDT1 P36639 2/20 0.45
BRAF P15056 1/20 0.43
NPC1 O15118 1/20 0.43
NR3C2 P08235 1/20 0.42

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
SCHEMBL30368235 0.86 JAK2 (0.55) JAK2TYK2JAK1ANO1MEN1
SCHEMBL30368230 0.82 JAK2 (0.62) JAK2TYK2JAK1ANO1
SCHEMBL30368210 0.81 ANO1 (0.65) JAK2TYK2JAK1ANO1ALDH1A1
SCHEMBL30368259 0.79 ANO1 (0.66) JAK2TYK2JAK1ANO1NR3C2
SCHEMBL30368170 0.79 ANO1 (0.51) JAK2TYK2JAK1ANO1NPC1
SCHEMBL30368167 0.78 TYK2 (0.67) JAK2TYK2JAK1ANO1
SCHEMBL30368264 0.78 JAK2 (0.55) JAK2TYK2JAK1ANO1
SCHEMBL30368445 0.77 NTRK1 (0.51) JAK2TYK2JAK1ANO1MEN1
SCHEMBL13165570 0.76 TYK2 (0.66) JAK2TYK2JAK1MEN1KMT2A
SCHEMBL25372494 0.75 P2RX4 (0.54) ANO1ALDH1A1

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-4172146-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY Bayer Aktiengesellschaft (DE) 2023-05-03 EP disclosed
EP-4171744-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTAIN OCULAR DISORDERS Bayer Aktiengesellschaft (DE) 2023-05-03 EP disclosed