SCHEMBL28811002

SCHEMBL28811002

O=C(N[C@H]1CC[C@H](O)CC1)c1c[nH]c2ccc(-c3cccnc3F)cc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.51
WNT1 P04628 4/20 0.51
BACE1 P56817 1/20 0.51
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR4 Q13639 2/20 0.45
GSK3B P49841 2/20 0.43
KCNH2 Q12809 2/20 0.43
KDM1A O60341 2/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
CD38 P28907 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL28811003 1.00 DYRK1A (0.51) DYRK1AWNT1BACE1ALOX5APFEN1
SCHEMBL29753995 0.92 KDM1A (0.51) DYRK1AWNT1BACE1ALOX5APFEN1
SCHEMBL28809212 0.92 KDM1A (0.51) DYRK1AWNT1BACE1ALOX5APFEN1
SCHEMBL28810288 0.92 KDM1A (0.51) DYRK1AWNT1BACE1ALOX5APFEN1
SCHEMBL28809213 0.92 KDM1A (0.51) DYRK1AWNT1BACE1ALOX5APFEN1
SCHEMBL29754069 0.92 BACE1 (0.60) DYRK1AWNT1BACE1ALOX5APFEN1
SCHEMBL28809202 0.92 BACE1 (0.60) DYRK1AWNT1BACE1ALOX5APFEN1
SCHEMBL23533891 0.91 HTR4 (0.56) DYRK1AWNT1BACE1ALDH1A1KMT2A
SCHEMBL29753901 0.91 HTR4 (0.56) DYRK1AWNT1BACE1ALDH1A1KMT2A
SCHEMBL28809191 0.88 KDM1A (0.52) DYRK1AWNT1BACE1ALDH1A1KMT2A

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-114867718-A Novel indazole derivative and use thereof 韩国化学研究院 2022-08-05 CN disclosed