SCHEMBL20139976

SCHEMBL20139976

N#Cc1ccccc1N1CCNC(=O)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
TYK2 P29597 2/20 0.42
DRD2 P14416 5/20 0.40
HTR1A P08908 4/20 0.40
HTR7 P34969 3/20 0.40
DRD4 P21917 3/20 0.39
GRM5 P41594 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.38
DPP4 P27487 2/20 0.38

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
SCHEMBL21561028 0.78 JAK2 (0.37) JAK2TYK2DRD4
SCHEMBL7400751 0.78 SCN9A (0.43) DRD2HTR1AHTR7DRD4GRM5
SCHEMBL3436003 0.78 KEAP1 (0.49)
SCHEMBL3436310 0.78 ADRB1 (0.59) HTR1AHTR7
SCHEMBL5373038 0.78 MEN1 (0.49)
SCHEMBL233169 0.76 ADRB1 (0.58) DRD2HTR1AHTR7DRD3
SCHEMBL2560845 0.75 PIM1 (0.41)
Hydrochloric Acid SCHEMBL29882725 0.75 ADRB1 (0.56) DRD2HTR1AHTR7DRD3
Hydrochloric Acid SCHEMBL20139829 0.75 ADRB1 (0.56) DRD2HTR1AHTR7DRD3
SCHEMBL19066690 0.74 KDM4E (0.49) DRD2DRD3

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