SCHEMBL3622286

SCHEMBL3622286

NC(=O)OC1CC=C(c2c[nH]c3cccnc23)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.35
KDR P35968 1/20 0.35
GSK3B P49841 1/20 0.35
CAMKK2 Q96RR4 1/20 0.34
HTR1D P28221 9/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1E P28566 2/20 0.33
CCR2 P41597 2/20 0.33
HTR1A P08908 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL3653965 0.89 HTR1D (0.41) FLT3KDRGSK3BCAMKK2HTR1D
SCHEMBL3657163 0.89 JAK3 (0.36) FLT3KDRGSK3BCAMKK2HTR1D
SCHEMBL3660344 0.78 CDK7 (0.36) FLT3KDRGSK3BCAMKK2HTR1D
SCHEMBL3216008 0.77 JAK2 (0.44) FLT3KDRGSK3BHTR1DCDK7
SCHEMBL3660456 0.76 CDK7 (0.37) FLT3KDRGSK3BCAMKK2HTR1D
SCHEMBL3654875 0.76 CDK7 (0.38) FLT3KDRGSK3BCAMKK2HTR1D
SCHEMBL3211442 0.70 HTR1D (0.46) HTR1DCDK7CDK9HTR1EHTR1A
SCHEMBL3217516 0.70 JAK3 (0.46) FLT3KDRGSK3BHTR1DCDK7
SCHEMBL3661903 0.70 HTR1D (0.44) FLT3KDRGSK3BHTR1DCDK7
SCHEMBL3661901 0.70 FLT3 (0.37) FLT3KDRGSK3BCAMKK2HTR1D

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