SCHEMBL24699158

SCHEMBL24699158

NSc1cc(-c2nc(N3CCC3)nc3c2CCC3)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
GBA1 P04062 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH2 P25021 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
SCHEMBL24697691 0.87 KDM4E (0.40) IGF1RKDM4EALDH1A1HPGDMAPT
SCHEMBL24698922 0.81 HSD17B10 (0.35) IGF1RKDM4EALDH1A1HPGDATM
SCHEMBL24698106 0.81 HRH2 (0.39) IGF1RKDM4EALDH1A1HPGDHTT
SCHEMBL24698728 0.79 KDM4E (0.36) IGF1RKDM4EALDH1A1HPGDMAPT
SCHEMBL24698161 0.78 CYP11B2 (0.39) IGF1RKDM4EALDH1A1HPGDMAPT
SCHEMBL24699459 0.78 GBA1 (0.39) IGF1RKDM4EALDH1A1HPGDMAPT
SCHEMBL24698813 0.75 IGF1R (0.37) IGF1RKDM4EALDH1A1HPGDMAPT
SCHEMBL24697555 0.75 PIK3CA (0.49) IGF1RKDM4EALDH1A1HPGDHTT
SCHEMBL24699440 0.75 PIK3CA (0.49) KDM4EALDH1A1HRH2HRH3
SCHEMBL24697795 0.74 ALDH1A1 (0.40) IGF1RKDM4EALDH1A1HPGDMAPT

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