SCHEMBL30368170

SCHEMBL30368170

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 12/20 0.51
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
CSF1R P07333 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 1/20 0.47
P2RX4 Q99571 1/20 0.43
MAPK14 Q16539 1/20 0.42
RORA P35398 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
TGFBR1 P36897 1/20 0.42
TGFBR2 P37173 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL30368210 0.85 ANO1 (0.65) ANO1JAK2JAK1TYK2P2RX4
SCHEMBL30368259 0.84 ANO1 (0.66) ANO1JAK2JAK1TYK2CSF1R
SCHEMBL30368264 0.82 JAK2 (0.55) ANO1JAK2JAK1TYK2CSF1R
SCHEMBL30367890 0.81 SMN1; SMN2 (0.57) ANO1JAK2JAK1TYK2NPC1
SCHEMBL25370078 0.79 P2RX4 (0.59) ANO1P2RX4
SCHEMBL30368345 0.79 JAK2 (0.52) ANO1JAK2JAK1TYK2NPC1
SCHEMBL30368445 0.79 NTRK1 (0.51) ANO1JAK2JAK1TYK2CSF1R
SCHEMBL30368101 0.78 SMN1; SMN2 (0.65) ANO1JAK2JAK1TYK2P2RX4
SCHEMBL30368230 0.78 JAK2 (0.62) ANO1JAK2JAK1TYK2P2RX4
SCHEMBL30368235 0.75 JAK2 (0.55) ANO1JAK2JAK1TYK2RAB9A

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
EP-4172146-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY Bayer Aktiengesellschaft (DE) 2023-05-03 EP disclosed