SCHEMBL29548263

SCHEMBL29548263

Cc1cc(Br)cc(C2(O)CCOCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.39
CYP11B2 P19099 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE2A O00408 3/20 0.32
PDE10A Q9Y233 3/20 0.32
OGA O60502 2/20 0.32
OPRM1 P35372 2/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX5 P09917 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 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
SCHEMBL24270086 1.00 HTR1D (0.39) HTR1DCYP11B2HRH3PDE2APDE10A
SCHEMBL24270200 0.90 PDE2A (0.34) HTR1DCYP11B2PDE2APDE10AOGA
SCHEMBL24270129 0.87 HRH3 (0.37) HTR1DCYP11B2HRH3PDE2APDE10A
SCHEMBL2981753 0.87 HTR1D (0.40) HTR1DCYP11B2HRH3PDE2APDE10A
SCHEMBL24269756 0.85 HDAC4 (0.36) HRH3PDE2APDE10AOPRM1ALDH1A1
SCHEMBL29548029 0.85 HDAC4 (0.36) HRH3PDE2APDE10AOPRM1ALDH1A1
SCHEMBL10279964 0.84 ACHE (0.36) HRH3OPRM1LMNAOPRD1OPRK1
SCHEMBL29548759 0.82 PDE2A (0.37) CYP11B2PDE2APDE10ACHRNA1CHRNG
SCHEMBL24269783 0.82 PDE2A (0.37) CYP11B2PDE2APDE10ACHRNA1CHRNG
SCHEMBL1193696 0.74 OPRM1 (0.52) HTR1DPDE2APDE10AOPRM1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624130-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 CN disclosed
CN-117624131-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 CN disclosed
CN-116323565-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2023-06-23 CN disclosed
WO-2022068848-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2022-04-07 WO disclosed