SCHEMBL4772622

SCHEMBL4772622

CCOC(=O)N1CCN(c2nc(Cl)ncc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
RAB9A P51151 1/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
P2RY12 Q9H244 7/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL21815329 0.85 NR1H2 (0.54) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL21815333 0.83 ABL1 (0.44) KMT2AMEN1MAPTSMN1; SMN2RXFP1
SCHEMBL4770618 0.78 ABL1 (0.51) KMT2AMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4765249 0.77 SMN1; SMN2 (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL16334850 0.77 P2RY12 (0.54) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29943640 0.75 CSNK1A1 (0.50) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL26101400 0.75 CSNK1A1 (0.50) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL24477792 0.74 CSNK1A1 (0.49) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL29631702 0.74 CSNK1A1 (0.49) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4770277 0.74 KDM4E (0.43) RAB9AMAPTSMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed
CN-1196685-C Pyrimidine derivatives ASTRAZENCA AB (SE) 2005-04-13 CN disclosed
CN-1454210-A Pyrimidine derivatives ASTRAZENCA AB (SE) 2003-11-05 CN disclosed