SCHEMBL11202244

SCHEMBL11202244

CCOC(=O)N1CCN(c2nc(N)c3c(C(C)C)csc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
PTPN11 Q06124 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
TSHR P16473 5/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 3/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 2/20 0.40
ELANE P08246 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL11201229 0.86 PTPN11 (0.40) KMT2AMEN1PTPN11SMN1; SMN2NPSR1
SCHEMBL11205242 0.86 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11201993 0.78 HCRTR1 (0.37) MAPTKMT2AALDH1A1MAPK1ELANE
SCHEMBL11204218 0.76 KDM4E (0.41) MAPTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL11201579 0.76 MEN1 (0.50) MAPTKMT2AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11198496 0.75 KDM4E (0.40) MAPTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL11201436 0.74 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11206583 0.73 PTPN11 (0.41) KMT2AMEN1ALDH1A1PTPN11SMN1; SMN2
SCHEMBL11133041 0.73 HCRTR1 (0.51) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11204710 0.73 ACACA (0.68) MAPTKMT2AMEN1ALDH1A1HPGD

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-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed