SCHEMBL4765249

SCHEMBL4765249

CN1CCN(c2nc(Cl)ncc2C#N)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 4/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
CLK1 P49759 1/20 0.48
MEN1 O00255 1/20 0.48
CSNK1A1 P48729 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CASP1 P29466 1/20 0.46
HRH4 Q9H3N8 2/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL29943640 0.86 CSNK1A1 (0.50) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL26101400 0.86 CSNK1A1 (0.50) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL29631702 0.84 CSNK1A1 (0.49) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL24477792 0.84 CSNK1A1 (0.49) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL4768951 0.84 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL4766001 0.82 POLB (0.52) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL4770277 0.82 KDM4E (0.43) SMN1; SMN2KDM4ETSHRHPGDCSNK1A1
SCHEMBL4770618 0.81 ABL1 (0.51) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL21815333 0.80 ABL1 (0.44) SMN1; SMN2KDM4EKMT2AMEN1CSNK1A1
SCHEMBL1491746 0.79 SMN1; SMN2 (0.71) SMN1; SMN2HRH4ABL1BCRHTR3B

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