SCHEMBL20157515

SCHEMBL20157515

CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.64
P2RX7 Q99572 3/20 0.52
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
TACR3 P29371 7/20 0.49
NR1H2 P55055 1/20 0.47
KIT P10721 1/20 0.46
MAPK1 P28482 1/20 0.45
GBA1 P04062 1/20 0.44

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
SCHEMBL12279502 0.85 TACR3 (0.59) PDK2TACR3
SCHEMBL112363 0.85 TACR3 (0.67) P2RX7TACR3
SCHEMBL30980030 0.82 P2RX7 (0.56) PDK2P2RX7TACR3NR1H2MAPK1
SCHEMBL19005706 0.82 RET (0.46) PDK2NR1H2
SCHEMBL10095021 0.81 NR1H2 (0.47) PDK2P2RX7NR1H2MAPK1
SCHEMBL19005627 0.81 P2RX7 (0.58) PDK2P2RX7TACR3NR1H2
SCHEMBL30233019 0.81 TACR3 (0.50) PDK2P2RX7TACR3NR1H2
SCHEMBL24731072 0.81 PDK2 (0.65) PDK2CKS1BSKP1SKP2NR1H2
SCHEMBL1173978 0.81 CKS1B (0.49) PDK2CKS1BSKP1SKP2NR1H2
SCHEMBL22952373 0.80 P2RX7 (0.48) PDK2P2RX7NR1H2MAPK1

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