SCHEMBL29975865

SCHEMBL29975865

[2H]c1cc(Cl)c2ccc(Br)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.39
ALK Q9UM73 1/20 0.37
NT5E P21589 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PABPC1 P11940 1/20 0.34
ACHE P22303 1/20 0.34
EGFR P00533 1/20 0.34
FBP1 P09467 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 1/20 0.32
GAK O14976 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
SCHEMBL29403274 0.81 ALK (0.50) PTGESALKNT5ESMN1; SMN2HTT
SCHEMBL1809544 0.81 ALK (0.50) PTGESALKNT5ESMN1; SMN2HTT
SCHEMBL17531614 0.72 PDE4A (0.47) SMN1; SMN2CYP1A2CYP2C19KDM4EMEN1
SCHEMBL19890459 0.72 PTGES (0.46) PTGESALKNT5ESMN1; SMN2HTT
SCHEMBL31236169 0.69 PDE4A (0.53) ALKSMN1; SMN2HTTCYP1A2CYP2C19
SCHEMBL29531805 0.69 NT5E (0.46) PTGESALKNT5EHTTCYP1A2
SCHEMBL858150 0.69 PDE4A (0.53) ALKSMN1; SMN2HTTCYP1A2CYP2C19
SCHEMBL7699263 0.69 NT5E (0.46) PTGESALKNT5EHTTCYP1A2
SCHEMBL438932 0.69 ACHE (0.46) PTGESALKNT5EHTTPABPC1
SCHEMBL17075876 0.68 NT5E (0.38) PTGESALKNT5ESMN1; SMN2HTT

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
EP-4329757-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-03-06 EP disclosed
WO-2022232331-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-11-03 WO disclosed