SCHEMBL23635372

SCHEMBL23635372

CC(C)(C)OC(=O)N1CCC(/C(O)=C(\N)C#N)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.50
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
STS P08842 6/20 0.46
GPR119 Q8TDV5 4/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
EPHX1 P07099 1/20 0.44
HSD17B10 Q99714 1/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL23635334 0.87 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL23635362 0.84 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL557431 0.79 HPGD (0.64) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4464773 0.78 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL10051294 0.78 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4464769 0.78 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL43357 0.77 HPGD (0.66) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL311635 0.76 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL16230337 0.76 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL163922 0.76 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6

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-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 WO disclosed