SCHEMBL29611693

SCHEMBL29611693

C[C@@H](CO)n1cnc2c(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cn3)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
SYK P43405 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PTGES O14684 3/20 0.34
NTRK1 P04629 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SCD O00767 1/20 0.33
DYRK1A Q13627 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL23390111 1.00 PIM1 (0.38) PIM1PTGS1PTGS2SMN1; SMN2EGLN1
SCHEMBL23390113 1.00 PIM1 (0.38) PIM1PTGS1PTGS2SMN1; SMN2EGLN1
SCHEMBL23390259 0.92 EGLN1 (0.40) PIM1PTGS1PTGS2SMN1; SMN2EGLN1
SCHEMBL30101937 0.92 EGLN1 (0.40) PIM1PTGS1PTGS2SMN1; SMN2EGLN1
SCHEMBL23390257 0.92 EGLN1 (0.40) PIM1PTGS1PTGS2SMN1; SMN2EGLN1
SCHEMBL29610251 0.88 TRPV3 (0.36) SYKTRPV3PTGESALDH1A1
SCHEMBL23390196 0.88 TRPV3 (0.36) SYKTRPV3PTGESALDH1A1
SCHEMBL23390198 0.88 TRPV3 (0.36) SYKTRPV3PTGESALDH1A1
SCHEMBL23390289 0.88 CYP2A6 (0.44) PIM1PTGS1PTGS2EGLN1
SCHEMBL23390292 0.88 CYP2A6 (0.44) PIM1PTGS1PTGS2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397512-B As AHR antagonists Pyridopyrimidinone derivatives 先达生物科技公司 2024-12-17 CN claimed
CN-115397512-A Pyridopyrimidinone derivatives as AHR antagonists 先达生物科技公司 2022-11-25 CN claimed
EP-4061484-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS Senda Biosciences, Inc. (US) 2022-09-28 EP claimed
CN-115397512-B As AHR antagonists Pyridopyrimidinone derivatives 先达生物科技公司 2024-12-17 CN disclosed
CN-116745622-A Biomarkers related to immune checkpoint inhibitor therapies and methods of use thereof 先达生物科技公司 2023-09-12 CN disclosed
EP-4228649-A1 BIOMARKERS RELATED TO IMMUNE CHECKPOINT INHIBITOR THERAPY AND METHODS OF USING THE SAME Senda Biosciences, Inc. (US) 2023-08-23 EP disclosed
CN-115397512-A Pyridopyrimidinone derivatives as AHR antagonists 先达生物科技公司 2022-11-25 CN disclosed
EP-4061484-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS Senda Biosciences, Inc. (US) 2022-09-28 EP disclosed
WO-2022081649-A1 BIOMARKERS RELATED TO IMMUNE CHECKPOINT INHIBITOR THERAPY AND METHODS OF USING THE SAME SENDA BIOSCIENCES, INC. (US) 2022-04-21 WO disclosed