SCHEMBL6202083

SCHEMBL6202083

CC(C)N(CCO)c1nc(Nc2ccc(Br)cc2)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 6/20 0.48
CCNE1 P24864 6/20 0.48
CDK2 P24941 6/20 0.48
CDK1 P06493 3/20 0.38
FLT3 P36888 4/20 0.35
CDK5 Q00535 1/20 0.31
ATM Q13315 1/20 0.31
CDK5R1 Q15078 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR2C P28335 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL6203387 0.90 CCNE2 (0.38) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6206198 0.83 CCNE2 (0.46) CCNE2CCNE1CDK2CDK1FLT3
SCHEMBL6205532 0.83 CDK5 (0.35) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6202790 0.83 CDK5 (0.35) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6206176 0.83 CDK5 (0.49) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6202658 0.82 CDK1 (0.44) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6205009 0.81 CDK5 (0.44) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6203872 0.81 CDK1 (0.44) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6204662 0.81 CLK1 (0.41) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6201113 0.78 CDK1 (0.46) CCNE2CCNE1CDK2CDK1CDK5

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-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed