SCHEMBL29819701

SCHEMBL29819701

CC(C)(C)OC(=O)N1CCC[C@H]1Cn1ncc2cnc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ IL1B P01584 2/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37

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
SCHEMBL29819929 1.00 PDE8B (0.48) PDE8BIRAK4ALDH1A1IL1BALOX5AP
SCHEMBL27156891 1.00 PDE8B (0.48) PDE8BIRAK4ALDH1A1IL1BALOX5AP
SCHEMBL29820209 0.97 PDE8B (0.52) PDE8BIRAK4ALDH1A1IL1BALOX5AP
SCHEMBL29819803 0.94 PDE8B (0.43) PDE8BIRAK4ALDH1A1IL1BP2RX7
SCHEMBL27156880 0.86 AURKA (0.37) PDE8BIRAK4
SCHEMBL27156527 0.86 AURKA (0.37) PDE8BIRAK4
SCHEMBL27156349 0.85 AURKA (0.35) PDE8B
SCHEMBL27156794 0.85 AURKA (0.35) PDE8B
SCHEMBL27156358 0.85 AURKA (0.35) PDE8B
SCHEMBL27156555 0.84 AURKA (0.35) PDE8BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
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