SCHEMBL29697387

SCHEMBL29697387

N#Cc1c(Cl)cc(C(F)(F)F)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 5/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
KMT2A Q03164 5/20 0.33

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
SCHEMBL24589991 1.00 NT5E (0.38) NT5EL3MBTL1ALDH1A1GABRPGABRD
SCHEMBL13374135 0.85 LMNA (0.39) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL30586208 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL23269411 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL15110967 0.83 HTT (0.40) NT5EALDH1A1GABRPGABRDGABRA1
SCHEMBL28287225 0.75 L3MBTL1 (0.40) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL30402943 0.75 L3MBTL1 (0.40) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL31320068 0.74 KHK (0.42) NT5EALDH1A1GABRA1GABRG2GABRB3
SCHEMBL15111309 0.74 KDM4E (0.37) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL15110846 0.73 HTT (0.38) ALDH1A1GABRPGABRDGABRA1GABRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964636-B Triazolopyrimidines method for synthesizing compound 上海陶术生物科技股份有限公司 2025-03-21 CN claimed
CN-117964636-A Synthesis method of triazolopyrimidine compound 上海陶术生物科技有限公司 2024-05-03 CN claimed
CN-117964636-B Triazolopyrimidines method for synthesizing compound 上海陶术生物科技股份有限公司 2025-03-21 CN disclosed
CN-117964636-A Synthesis method of triazolopyrimidine compound 上海陶术生物科技有限公司 2024-05-03 CN disclosed
WO-2022135390-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF 四川海思科制药有限公司 2022-06-30 WO disclosed