SCHEMBL25404170

SCHEMBL25404170

COc1ccnc(NC(=O)Nc2cc(OC)ccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
RIOK2 Q9BVS4 5/20 0.58
KDM4E B2RXH2 3/20 0.57
GCK P35557 3/20 0.57
POLB P06746 2/20 0.57
MAPK10 P53779 2/20 0.57
GSK3A P49840 1/20 0.57
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 1/20 0.56
MITF O75030 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
XBP1 P17861 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
KDR P35968 1/20 0.53
CLK2 P49760 1/20 0.53
IRAK1 P51617 1/20 0.53
NEK4 P51957 1/20 0.53
MAP4K2 Q12851 1/20 0.53

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
SCHEMBL25402398 0.91 F2 (0.59) TP53RIOK2GCKMAPK10GSK3A
SCHEMBL25407042 0.89 TP53 (0.65) TP53RIOK2KDM4EGCKPOLB
SCHEMBL25405258 0.89 ALDH1A1 (0.66) TP53RIOK2KDM4EPOLBALDH1A1
SCHEMBL3932265 0.88 RIOK2 (0.57) TP53RIOK2GCKMAPK10GSK3A
SCHEMBL25189182 0.88 RIOK2 (0.60) TP53RIOK2KDM4EGCKMAPK10
SCHEMBL25406525 0.87 KDR (0.71) TP53RIOK2MAPK10GSK3AALDH1A1
SCHEMBL25402019 0.86 NR3C2 (0.67) TP53RIOK2GCKMAPK10GSK3A
SCHEMBL25404689 0.86 TP53 (0.61) TP53RIOK2KDM4EMAPK10GSK3A
SCHEMBL25404025 0.86 NPC1 (0.53) TP53RIOK2GCKMAPK10GSK3A
SCHEMBL25404715 0.86 SMN1; SMN2 (0.66) TP53POLBNPC1MAPTPKM

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
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO disclosed
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO disclosed