SCHEMBL24698993

SCHEMBL24698993

Cc1ccc(-c2nc(N3CCC3)nc3c2CCC3)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
CNR2 P34972 3/20 0.41
HPGD P15428 2/20 0.40
IGF1R P08069 4/20 0.40
GBA1 P04062 2/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPT P10636 1/20 0.37
HTR2C P28335 1/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PIK3CA P42336 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL24699440 0.85 PIK3CA (0.49) KDM4EALDH1A1CNR2PIK3CAHRH2
SCHEMBL24699477 0.84 ALDH1A1 (0.47) KDM4EALDH1A1HPGDIGF1RGBA1
SCHEMBL24698400 0.81 PIK3CA (0.49) KDM4EALDH1A1HPGDGBA1MAPT
SCHEMBL24698785 0.80 KDM4E (0.50) KDM4EALDH1A1CNR2HPGDPIK3CA
SCHEMBL24697795 0.79 ALDH1A1 (0.40) KDM4EALDH1A1HPGDIGF1RGBA1
SCHEMBL24699409 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDIGF1RGBA1
SCHEMBL24698171 0.78 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGBA1MAPT
SCHEMBL24698190 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDIGF1RGBA1
SCHEMBL24698856 0.77 PIK3CA (0.47) KDM4EALDH1A1HPGDIGF1RGBA1
SCHEMBL24698057 0.77 PIK3CA (0.44) KDM4EALDH1A1HPGDIGF1RGBA1

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