SCHEMBL28931602

SCHEMBL28931602

COc1ccc2c(N3CCC(C(C)CNS(N)(=O)=O)CC3)ncnc2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 13/20 0.61
KIT P10721 2/20 0.46
PDGFRB P09619 2/20 0.45
MTNR1B P49286 2/20 0.44
ENPP3 O14638 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL28689286 0.93 ENPP1 (0.72) ENPP1KITPDGFRBMTNR1B
SCHEMBL31457627 0.93 ENPP1 (0.72) ENPP1KITPDGFRBMTNR1B
SCHEMBL22455020 0.87 ENPP1 (0.71) ENPP1PDE10A
SCHEMBL31457626 0.85 ENPP1 (0.48) ENPP1ENPP3
SCHEMBL22441609 0.85 ENPP1 (0.48) ENPP1ENPP3
SCHEMBL28931601 0.85 ENPP1 (0.47) ENPP1KITPDGFRBMTNR1BPDE3B
SCHEMBL22407460 0.84 ENPP1 (0.85) ENPP1
SCHEMBL22455035 0.83 ENPP1 (0.66) ENPP1PDGFRBPDE10A
SCHEMBL24391962 0.81 ENPP1 (0.68) ENPP1KITPDGFRBMTNR1BPDE3B
SCHEMBL22441577 0.80 ENPP1 (0.52) ENPP1MTNR1BENPP3

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-113924092-B Quinoline and quinazoline compounds and methods of use thereof 斯汀格瑞治疗股份有限公司 2025-03-18 CN disclosed
CN-113924092-A Quinoline and quinazoline compounds and methods of use thereof 斯汀格瑞治疗股份有限公司 2022-01-11 CN disclosed