SCHEMBL108873

SCHEMBL108873

C[Si](C)(C)CCOCn1cnc2cc(N3CCN(C(=O)O)CC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.37
ENPP2 Q13822 13/20 0.36
SIK1 P57059 1/20 0.36
SIK2 Q9H0K1 1/20 0.36
SIK3 Q9Y2K2 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
DGAT1 O75907 1/20 0.36
HPGD P15428 1/20 0.36
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL2128838 0.87 MAPT (0.43)
SCHEMBL2143614 0.86 NTRK1 (0.46) DRD2DRD4DRD3DGAT1NTRK1
SCHEMBL2143368 0.84 PDK2 (0.41) ENPP2
SCHEMBL111981 0.84 HPGD (0.37) PTGDRENPP2DRD2DRD4DRD3
SCHEMBL2142144 0.81 MAPT (0.42) PTGDR
SCHEMBL110311 0.80 ACKR3 (0.39) DGAT1
SCHEMBL2142224 0.79 CCNE1 (0.37) DGAT1NTRK1CSF1RNTRK2
SCHEMBL29837529 0.78 MEN1 (0.44) PTGDRDRD2DRD4DRD3DGAT1
SCHEMBL114350 0.78 MEN1 (0.44) PTGDRDRD2DRD4DRD3DGAT1
SCHEMBL2143583 0.78 PDK2 (0.40) PTGDRENPP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed