SCHEMBL22902469

SCHEMBL22902469

CC(C)(C)OC(=O)N[C@H]1C[C@@H](n2c(=O)[nH]c3c(N)nccc32)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RET P07949 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ MAP4K4 O95819 2/20 0.37
▸ PIK3CA P42336 2/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OGFRL1 Q5TC84 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ BUB1 O43683 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MTOR P42345 1/20 0.35

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
SCHEMBL22902719 0.85 JAK1 (0.40) JAK1JAK2KMT2AL3MBTL1RET
SCHEMBL22902683 0.82 JAK1 (0.38) JAK1JAK2KMT2AL3MBTL1RET
SCHEMBL22902495 0.82 PIK3R1 (0.38) JAK1JAK2PIK3CAPIK3R1BUB1
SCHEMBL24590579 0.79 KDM4E (0.37) JAK1RETKDRPIK3CA
SCHEMBL29737131 0.79 KDM4E (0.37) JAK1RETKDRPIK3CA
SCHEMBL18644666 0.78 SRC (0.45) PIK3CA
SCHEMBL22902468 0.78 L3MBTL1 (0.39) JAK1JAK2KMT2AL3MBTL1EPHX2
SCHEMBL30111813 0.77 BTK (0.46) JAK1JAK2PIK3CA
SCHEMBL23450731 0.77 BTK (0.46) JAK1JAK2PIK3CA
SCHEMBL22605489 0.76 ALDH1A1 (0.50) KMT2AL3MBTL1EPHX2OPRM1

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-2021011428-A1 HETEROCYCLIC KINASE INHIBITORS GB005, INC. (US) 2021-01-21 — — WO disclosed
Send feedback