SCHEMBL6594422

SCHEMBL6594422

CCn1c(-c2ccnc(Nc3ccc(S(=O)(=O)NCC4CCCO4)cc3)n2)cnc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.66
CDK4 P11802 5/20 0.66
CCNA2 P20248 2/20 0.51
CCNA1 P78396 2/20 0.51
POLB P06746 2/20 0.49
SLC12A2 P55011 1/20 0.48
SLC12A5 Q9H2X9 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CCND3 P30281 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL6387030 0.91 CDK2 (0.60) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6598183 0.91 CDK2 (0.64) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6106036 0.90 CDK2 (0.64) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6103961 0.88 CDK2 (0.72) CDK2CDK4CCNA2CCNA1CCNT1
SCHEMBL5102624 0.86 CDK2 (0.56) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6593911 0.85 CDK2 (0.51) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL4021384 0.85 CDK2 (0.68) CDK2CDK4CCNA2CCNA1CCNT1
SCHEMBL5095293 0.84 CDK2 (0.59) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL5095601 0.83 CDK2 (0.54) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL5098992 0.83 CDK2 (0.60) CDK2CDK4CCNA2CCNA1POLB

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-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed