SCHEMBL19264191

SCHEMBL19264191

CC(C)C1CCC(CN2CCC(C(N)=O)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.41
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL4035398 0.87 SMN1; SMN2 (0.62) SMN1; SMN2GAAJAK2JAK1TYK2
SCHEMBL25630719 0.86 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1PKM
Hydrochloric Acid SCHEMBL27659724 0.85 SMN1; SMN2 (0.60) SMN1; SMN2GAAJAK2JAK1TYK2
SCHEMBL25600474 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL25600475 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL25600476 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL27425161 0.81 ACHE (0.45) OPRK1
SCHEMBL4732821 0.80 SMN1; SMN2 (0.58) SMN1; SMN2GAAJAK2JAK1TYK2
SCHEMBL26263467 0.79 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL680627 0.79 ACHE (0.47) SMN1; SMN2OPRK1

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
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed