SCHEMBL30701694

SCHEMBL30701694

FC(F)Cn1ncc2cnc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.42
HTR2C P28335 6/20 0.42
HTR2B P41595 3/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36
HTR4 Q13639 1/20 0.36
KMO O15229 4/20 0.35
NT5E P21589 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL31599823 0.84 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL29241352 0.78 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL18366276 0.77 CYP17A1 (0.34) HTR2AHTR2CKMONT5E
SCHEMBL24147792 0.77 KMO (0.55) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL29241346 0.76 KMO (0.43) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31394462 0.74 HTR2A (0.52) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL29080920 0.72
SCHEMBL31716783 0.72 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL24338626 0.72 HTR2A (0.39) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL30174435 0.72 HTR2A (0.39) HTR2AHTR2CHTR2BHTR1AADRA2A

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