SCHEMBL10316409

SCHEMBL10316409

CC(C)c1nccc2[nH]c3ccnc(C(C)C)c3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 13/20 0.39
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
DYRK1A Q13627 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33

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
SCHEMBL27010951 0.78 LRRK2 (0.35) PDE3BPDE3ADYRK1ACYP3A4CYP2D6
SCHEMBL27010947 0.75 GPR84 (0.33) MEN1MAPTKMT2A
SCHEMBL27010731 0.75 MAOA (0.33) MEN1GAAMAPTKMT2A
SCHEMBL16339584 0.74 PDPK1 (0.42) DYRK1ACYP3A4AURKADAPK3JAK2
SCHEMBL18237712 0.72 PDE3B (0.34) PDE3BPDE3ADYRK1AAURKADAPK3
SCHEMBL18237425 0.72 PDE3B (0.40) PDE3BPDE3ADYRK1AAURKADAPK3
SCHEMBL18562040 0.71 HSD17B10 (0.41) PDE3BPDE3ADYRK1AGSK3BCDK7
SCHEMBL10810836 0.70 PDE3B (0.71) PDE3BPDE3ADYRK1AAURKADAPK3
SCHEMBL9968100 0.70 UTS2R (0.36) UTS2R
SCHEMBL17248118 0.69 MMP12 (0.41) MEN1ALDH1A1MAPTKMT2A

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
EP-2475020-A1 ORGANIC ELECTROLUMINESCENT ELEMENT FUJIFILM Corporation (JP) 2012-07-11 EP disclosed