SCHEMBL4768951

SCHEMBL4768951

CC(C)N1CCN(c2nc(Cl)ncc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CSNK1A1 P48729 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PLK1 P53350 1/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
MAPT P10636 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIN1 Q13526 1/20 0.36
RET P07949 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL4765249 0.84 SMN1; SMN2 (0.61) SMN1; SMN2CSNK1A1CLK4ABL1BCR
SCHEMBL29943640 0.82 CSNK1A1 (0.50) SMN1; SMN2CSNK1A1CLK4MAPTPIN1
SCHEMBL26101400 0.82 CSNK1A1 (0.50) SMN1; SMN2CSNK1A1CLK4MAPTPIN1
SCHEMBL24477792 0.81 CSNK1A1 (0.49) SMN1; SMN2CSNK1A1CLK4MAPTKDM4E
SCHEMBL29631702 0.81 CSNK1A1 (0.49) SMN1; SMN2CSNK1A1CLK4MAPTKDM4E
SCHEMBL4766001 0.78 POLB (0.52) SMN1; SMN2CSNK1A1CLK4MAPTKDM4E
SCHEMBL4770618 0.77 ABL1 (0.51) SMN1; SMN2CSNK1A1CLK4ABL1BCR
SCHEMBL21815333 0.77 ABL1 (0.44) SMN1; SMN2CSNK1A1CLK4ABL1BCR
SCHEMBL4770277 0.76 KDM4E (0.43) SMN1; SMN2CSNK1A1CLK4MAPTRET
SCHEMBL4772622 0.74 KMT2A (0.51) SMN1; SMN2MAPTKDM4EALDH1A1HPGD

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 3 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