SCHEMBL30440947

SCHEMBL30440947

c1ccc2[nH]c(-c3ccc(Nc4ccncc4)cc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.73
ALDH1A1 P00352 5/20 0.73
PKN1 Q16512 1/20 0.73
PKN2 Q16513 1/20 0.73
HPSE Q9Y251 3/20 0.61
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 1/20 0.58
GFER P55789 1/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56

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
SCHEMBL29693614 0.85 KDM4E (1.00) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL695990 0.85 KDM4E (1.00) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL31592970 0.85 KDM4E (0.61) KDM4EALDH1A1PKN1PKN2HPSE
SCHEMBL18616895 0.85 ALDH1A1 (0.51) KDM4EALDH1A1PKN1PKN2HPSE
Hydrochloric Acid SCHEMBL18586196 0.84 ALDH1A1 (0.50) KDM4EALDH1A1PKN1PKN2HPSE
SCHEMBL2178266 0.82 NPC1 (0.88) KDM4EALDH1A1PKN1PKN2HPSE
SCHEMBL29386825 0.82 NPC1 (0.88) KDM4EALDH1A1PKN1PKN2HPSE
SCHEMBL6532479 0.81 NPC1 (0.61) KDM4EALDH1A1PKN1PKN2HPSE
SCHEMBL6532899 0.81 NPC1 (0.68) KDM4EALDH1A1PKN1PKN2HPSE
SCHEMBL23999512 0.80 MEN1 (0.54) KDM4EALDH1A1PKN1PKN2HPSE

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
EP-4426289-A1 AKT3 MODULATORS Georgiamune Inc. (US) 2024-09-11 EP disclosed
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed