SCHEMBL5723348

SCHEMBL5723348

C#CCOc1nc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)ncc1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.61
CCNA2 P20248 1/20 0.61
CCNA1 P78396 1/20 0.61
POLB P06746 4/20 0.48
CXCR4 P61073 1/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NR2F2 P24468 1/20 0.48
RAB9A P51151 1/20 0.48
NPC1 O15118 1/20 0.47
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CDK1 P06493 1/20 0.45
KDR P35968 1/20 0.45
HPGD P15428 1/20 0.44
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL5723722 0.88 CDK2 (0.48) CDK2CCNA2CCNA1CDK1KDR
SCHEMBL6220525 0.84 CCNA2 (0.60) CDK2CCNA2CCNA1POLBCXCR4
SCHEMBL4766348 0.84 CCNA2 (0.59) CDK2CCNA2CCNA1POLBCXCR4
SCHEMBL5723577 0.83 SYK (0.49) CDK2CCNA2CCNA1ALDH1A1SMN1; SMN2
SCHEMBL5723725 0.82 CDK2 (0.50) CDK2CCNA2CCNA1CDK1KDR
SCHEMBL4765289 0.82 CCNA2 (0.57) CDK2CCNA2CCNA1POLBCXCR4
SCHEMBL4770586 0.81 CCNA2 (0.59) CDK2CCNA2CCNA1POLBCXCR4
SCHEMBL4772085 0.81 CCNA2 (0.56) CDK2CCNA2CCNA1POLBCXCR4
SCHEMBL4766601 0.81 CCNA2 (0.58) CDK2CCNA2CCNA1POLBCXCR4
SCHEMBL5723409 0.80 CDK1 (0.56) CDK2CCNA2CCNA1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406876-B1 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-12-27 EP disclosed