SCHEMBL30522600

SCHEMBL30522600

COc1cnccc1-c1ccc(N)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.56
IMPDH1 P20839 1/20 0.56
AAK1 Q2M2I8 4/20 0.46
GAA P10253 3/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
METAP2 P50579 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GFER P55789 1/20 0.42
CYP17A1 P05093 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NTRK1 P04629 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL25300597 1.00 IMPDH2 (0.56) IMPDH2IMPDH1AAK1GAAMAPK1
SCHEMBL30522575 0.89 IMPDH2 (0.46) IMPDH2IMPDH1AAK1GAAMAPK1
SCHEMBL10272836 0.88 IMPDH2 (0.55) IMPDH2IMPDH1GAAMAPK1HTT
SCHEMBL30522521 0.87 KIT (0.51) IMPDH2IMPDH1AAK1GAAMAPK1
SCHEMBL25255296 0.87 KIT (0.51) IMPDH2IMPDH1AAK1GAAMAPK1
SCHEMBL10272835 0.85 CYP17A1 (0.58) IMPDH2IMPDH1GAAMAPK1HTT
SCHEMBL347390 0.83 MAPT (0.59) IMPDH2IMPDH1GAAMAPK1HTT
SCHEMBL30839714 0.83 MAPT (0.59) IMPDH2IMPDH1GAAMAPK1HTT
SCHEMBL12934590 0.83 CYP1A2 (0.49) AAK1GAATSHRCYP1A2METAP2
Hydrochloric Acid SCHEMBL10604756 0.81 MAPT (0.57) IMPDH2IMPDH1GAAMAPK1HTT

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-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed