SCHEMBL30368264

SCHEMBL30368264

CC(=O)Nc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2Cl)ccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.55
TYK2 P29597 4/20 0.55
JAK1 P23458 3/20 0.55
ANO1 Q5XXA6 5/20 0.53
CSF1R P07333 1/20 0.53
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT3 P36888 1/20 0.53
P2RX7 Q99572 8/20 0.49
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
ACKR3 P25106 1/20 0.48

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
SCHEMBL30368259 0.89 ANO1 (0.66) JAK2TYK2JAK1ANO1CSF1R
SCHEMBL30368210 0.86 ANO1 (0.65) JAK2TYK2JAK1ANO1
SCHEMBL30368170 0.82 ANO1 (0.51) JAK2TYK2JAK1ANO1CSF1R
SCHEMBL30368230 0.81 JAK2 (0.62) JAK2TYK2JAK1ANO1KCNJ5
SCHEMBL30368144 0.81 TYK2 (0.56) TYK2ANO1P2RX7KCNJ5KCNJ3
SCHEMBL2717733 0.80 GRK2 (0.55) JAK2TYK2JAK1P2RX7
SCHEMBL25372122 0.78 P2RX4 (0.61) ANO1P2RX7KCNJ5KCNJ3ACKR3
SCHEMBL25375429 0.78 P2RX4 (0.56) ANO1P2RX7KCNJ5KCNJ3ACKR3
SCHEMBL30368345 0.78 JAK2 (0.52) JAK2TYK2JAK1ANO1
SCHEMBL30368445 0.78 NTRK1 (0.51) JAK2TYK2JAK1ANO1CSF1R

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