SCHEMBL20140942

SCHEMBL20140942

CC(C)(C)OC(=O)N1CCn2nc(-c3ccccc3)nc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
GBA1 P04062 1/20 0.45
ESR2 Q92731 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HPGDS O60760 2/20 0.44
MAPK1 P28482 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
USP30 Q70CQ3 1/20 0.43
ADORA1 P30542 1/20 0.42
KIT P10721 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL15933697 0.89 GPR119 (0.47) CKS1BSKP1SKP2GBA1ESR2
SCHEMBL31612680 0.86 HDAC4 (0.48) DPP4DPP8DPP7ESR2ALDH1A1
SCHEMBL24689567 0.85 NR1H2 (0.43) DPP4DPP8DPP7ESR2HDAC4
SCHEMBL15933535 0.85 GPR119 (0.49) ESR2JAK2JAK3HDAC4GPR119
SCHEMBL15933643 0.85 GPR119 (0.45) CKS1BSKP1SKP2GBA1ESR2
SCHEMBL17984905 0.84 ESR2 (0.40) CKS1BSKP1SKP2DPP4DPP8
SCHEMBL15933477 0.82 HDAC4 (0.40) CKS1BSKP1SKP2DPP4DPP8
SCHEMBL20141429 0.82 DPP4 (0.54) DPP4DPP8DPP7ADORA3ADORA1
SCHEMBL15933537 0.82 GBA1 (0.55) CKS1BSKP1SKP2GBA1MAPK1
SCHEMBL15933678 0.80 CSNK1D (0.43) CKS1BSKP1SKP2DPP4DPP8

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed