SCHEMBL3654875

SCHEMBL3654875

NC(=O)OC1C=C(c2c[nH]c3cccnc23)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
FLT3 P36888 2/20 0.35
KDR P35968 1/20 0.35
GSK3B P49841 1/20 0.35
JAK2 O60674 4/20 0.33
JAK1 P23458 3/20 0.33
CCR2 P41597 2/20 0.33
JAK3 P52333 2/20 0.33
HTR1D P28221 8/20 0.32
CAMKK2 Q96RR4 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
HTR1E P28566 2/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL3660456 0.97 CDK7 (0.37) CDK7CDK9FLT3KDRGSK3B
SCHEMBL3660344 0.92 CDK7 (0.36) CDK7CDK9FLT3KDRGSK3B
SCHEMBL3653965 0.78 HTR1D (0.41) CDK7CDK9FLT3KDRGSK3B
SCHEMBL3221635 0.77 JAK2 (0.45) CDK7CDK9FLT3KDRGSK3B
SCHEMBL3657163 0.76 JAK3 (0.36) CDK7CDK9FLT3KDRGSK3B
SCHEMBL3622286 0.76 FLT3 (0.35) CDK7CDK9FLT3KDRGSK3B
SCHEMBL3206667 0.74 JAK2 (0.48) CDK7CDK9FLT3KDRGSK3B
SCHEMBL3225505 0.71 JAK2 (0.46) CDK7CDK9FLT3KDRGSK3B
SCHEMBL3217678 0.70 CDK7 (0.45) CDK7CDK9JAK2JAK1HTR1D
SCHEMBL7543009 0.68 MAPK11 (0.50) CDK7CDK9FLT3KDRGSK3B

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-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed