SCHEMBL24699409

SCHEMBL24699409

Cn1ccnc1-c1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
IGF1R P08069 4/20 0.37
HPGD P15428 2/20 0.37
GBA1 P04062 2/20 0.37
KDM5B Q9UGL1 1/20 0.35
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 3/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
HTR2C P28335 2/20 0.33
APP P05067 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL24699408 0.84 HTR2A (0.34) ALDH1A1KDM5BHRH2HRH3MAPT
SCHEMBL24699477 0.82 ALDH1A1 (0.47) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24698856 0.79 PIK3CA (0.47) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24698993 0.78 KDM4E (0.43) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24697795 0.77 ALDH1A1 (0.40) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24699087 0.77 DYRK1A (0.43) KDM4EALDH1A1IGF1RAPPBCHE
SCHEMBL24698171 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGBA1MAPT
SCHEMBL24698494 0.77 FAAH (0.45) KDM4EALDH1A1IGF1R
SCHEMBL24698190 0.77 KDM4E (0.42) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL19623360 0.75 PIK3CA (0.46) KDM4EALDH1A1IGF1RHPGDGBA1

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
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed