SCHEMBL6605982

SCHEMBL6605982

Cc1nc(C(F)(F)F)[nH]c1-c1ccnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.49
CCNA2 P20248 1/20 0.49
CCNA1 P78396 1/20 0.49
CDK4 P11802 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC12A2 P55011 1/20 0.46
SLC12A5 Q9H2X9 1/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NR2F2 P24468 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
SYK P43405 2/20 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
SCHEMBL6604316 0.87 CDK2 (0.50) CDK2CCNA2CCNA1CDK4MEN1
SCHEMBL6603729 0.87 CDK2 (0.51) CDK2CCNA2CCNA1CDK4MEN1
SCHEMBL6604728 0.81 CDK2 (0.48) CDK2CCNA2CCNA1CDK4MEN1
SCHEMBL6387033 0.81 CDK2 (0.50) CDK2CCNA2CCNA1CDK4MEN1
SCHEMBL5095601 0.80 CDK2 (0.54) CDK2CCNA2CCNA1CDK4SLC12A2
SCHEMBL4021385 0.79 CDK2 (0.48) CDK2CCNA2CCNA1CDK4HSD17B10
SCHEMBL6598183 0.78 CDK2 (0.64) CDK2CCNA2CCNA1CDK4SLC12A2
SCHEMBL6594422 0.77 CDK2 (0.66) CDK2CCNA2CCNA1CDK4SLC12A2
SCHEMBL6387030 0.77 CDK2 (0.60) CDK2CCNA2CCNA1CDK4SLC12A2
SCHEMBL5098992 0.76 CDK2 (0.60) CDK2CCNA2CCNA1CDK4SLC12A2

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-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP disclosed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO disclosed