SCHEMBL6604728

SCHEMBL6604728

Cc1nc(CCC2CC2)c(-c2ccnc(Nc3ccc(S(=O)(=O)NCC4CCCO4)cc3)n2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.48
CCNA2 P20248 1/20 0.48
CCNA1 P78396 1/20 0.48
CDK4 P11802 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 5/20 0.44
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
ALDH1A1 P00352 5/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.42
SYK P43405 2/20 0.42
CXCR4 P61073 1/20 0.42

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
SCHEMBL6387033 0.84 CDK2 (0.50) CDK2CCNA2CCNA1CDK4SMN1; SMN2
SCHEMBL4021385 0.82 CDK2 (0.48) CDK2CCNA2CCNA1CDK4SMN1; SMN2
SCHEMBL6605982 0.81 CDK2 (0.49) CDK2CCNA2CCNA1CDK4SMN1; SMN2
SCHEMBL6604316 0.81 CDK2 (0.50) CDK2CCNA2CCNA1CDK4SMN1; SMN2
SCHEMBL6603729 0.81 CDK2 (0.51) CDK2CCNA2CCNA1CDK4SMN1; SMN2
SCHEMBL6387030 0.80 CDK2 (0.60) CDK2CCNA2CCNA1CDK4SMN1; SMN2
SCHEMBL6598183 0.76 CDK2 (0.64) CDK2CCNA2CCNA1CDK4SMN1; SMN2
SCHEMBL6600257 0.76 SYK (0.43) CDK2CCNA2CCNA1CDK4SYK
SCHEMBL6594422 0.76 CDK2 (0.66) CDK2CCNA2CCNA1CDK4SMN1; SMN2
SCHEMBL5098992 0.75 CDK2 (0.60) CDK2CCNA2CCNA1CDK4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485375-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP claimed
WO-2003076435-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 WO claimed