SCHEMBL30701650

SCHEMBL30701650

FC(F)(F)C1(c2cc(Br)ccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 2/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
WDR5 P61964 1/20 0.34
PIK3CA P42336 2/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
SYK P43405 1/20 0.31
SLC22A12 Q96S37 2/20 0.31
RAF1 P04049 1/20 0.30
RAD51 Q06609 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL17506392 1.00 KCNJ6 (0.37) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL28406039 0.79 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2SLC22A12
SCHEMBL27357711 0.79 KCNJ6 (0.35) KCNJ6KCNJ5KCNJ3PIK3CANOS3
SCHEMBL13805991 0.79 UHRF1 (0.41) KDM4EALDH1A1PIK3CANOS3NOS2
SCHEMBL17594690 0.77 KDM4C (0.49) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL22558603 0.76 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2SLC22A12
SCHEMBL20890045 0.75 NOS3 (0.43) PIK3CANOS3NOS2RAF1KDM4C
SCHEMBL25297918 0.73 ALDH1A1 (0.34) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL30395366 0.73 ALDH1A1 (0.34) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL13805990 0.72 PIK3CA (0.39) KDM4EALDH1A1PIK3CANOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547657-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-05-07 EP disclosed
CN-119384415-A CD73 compounds 吉利德科学公司 2025-01-28 CN disclosed
WO-2024006929-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-01-04 WO disclosed