SCHEMBL3715449

SCHEMBL3715449

COC(=O)CCc1ccc2cccc(OC3CCNCC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 5/20 0.44
PIM1 P11309 4/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
MCHR1 Q99705 4/20 0.41
PDE10A Q9Y233 1/20 0.40
HSP90AB1 P08238 2/20 0.39
TOP2A P11388 2/20 0.39
HRH1 P35367 1/20 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
SCHEMBL3714317 0.81 HRH1 (0.42) HRH1
SCHEMBL3719292 0.81 PIM1 (0.51) PIM2PIM1JAK2JAK1TYK2
SCHEMBL2854561 0.76 HTR2A (0.47) HRH1
SCHEMBL3717576 0.74 LMNA (0.47) MCHR1HRH1
SCHEMBL3717118 0.74 PIM1 (0.57) PIM2PIM1JAK2JAK1TYK2
SCHEMBL2854918 0.74 KDM4E (0.45) PIM1PDE10A
SCHEMBL3713221 0.74 HRH3 (0.60) HRH1
SCHEMBL7420604 0.73 KDM4E (0.51) PDE10A
SCHEMBL2851009 0.72 PDE10A (0.41) PDE10A
SCHEMBL22365344 0.71 HRH1 (0.58) HRH1

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-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed