SCHEMBL29705459

SCHEMBL29705459

c1cnc2[nH]nc(C3CCCCO3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 6/20 0.38
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ OPRL1 P41146 2/20 0.35
▸ RET P07949 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ CDC7 O00311 3/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ PRKACA P17612 1/20 0.34

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
SCHEMBL30540792 0.78 RAB9A (0.42) MAPK8MAPK9MAPK10PIM1PIM2
SCHEMBL29705888 0.76 MAPK8 (0.37) MAPK8MAPK9MAPK10PIM1PIM2
SCHEMBL21733021 0.76 PDK2 (0.47) GRM4MAPK8MAPK9OPRL1RET
SCHEMBL5562287 0.74 KDM4E (0.41) MAPK8MAPK9MAPK10PIM1PIM2
SCHEMBL9369196 0.73 PDE10A (0.42) MAPK8MAPK9MAPK10PDE10A
SCHEMBL17857651 0.71 HTR1A (0.40) PIM1JAK2TYK2JAK3MKNK2
SCHEMBL26888903 0.70 GCK (0.41) PDE10A
SCHEMBL3832735 0.70 PDK2 (0.39) GRM4OPRL1RETOPRM1OPRK1
Hydrochloric Acid SCHEMBL17837567 0.70 HTR1A (0.40) PIM1JAK2TYK2JAK3MKNK2
SCHEMBL28926587 0.70 SMN1; SMN2 (0.45) GRM4MAPK8MAPK9MAPK10

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 — — WO disclosed
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