SCHEMBL29349643

SCHEMBL29349643

FC(F)(F)c1nc2c(Cl)nnc(Cl)c2nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.35
ENPP3 O14638 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL28687107 1.00 ENPP1 (0.35) ENPP1ENPP3KDM4E
SCHEMBL9884490 0.76 ENPP1 (0.33) ENPP1ENPP3KDM4E
SCHEMBL29350946 0.74 ADORA2A (0.41) KDM4E
SCHEMBL28931696 0.74 ADORA2A (0.41) KDM4E
SCHEMBL21306240 0.69 KDM4E (0.32) KDM4E
SCHEMBL29351072 0.69
SCHEMBL28698491 0.69
SCHEMBL12340138 0.67
SCHEMBL10704444 0.67 ALDH1A1 (0.33) ENPP1ENPP3
SCHEMBL6238742 0.65 ALDH1A1 (0.32)

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
CN-113956295-B Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2023-04-11 CN disclosed
CN-113956295-A Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2022-01-21 CN disclosed