SCHEMBL6202508

SCHEMBL6202508

CC(C)N(CCO)c1nc(NCc2c(N)cccc2Cl)c2[nH]nnc2n1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.30
BTK Q06187 1/20 0.30
CDK1 P06493 1/20 0.30
CDK5 Q00535 1/20 0.30
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL6203326 0.85 CDK2 (0.38) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL6204524 0.84 CCNE2 (0.34) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL6205469 0.82
SCHEMBL6201142 0.81 CDK1 (0.46) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL6204274 0.80 CCR4 (0.33) CCNE2CCNE1CDK2
SCHEMBL6204246 0.78 BRAF (0.35) CDK5CCNE2CCNE1CDK2
SCHEMBL6204587 0.78 BRAF (0.35) CDK5CCNE2CCNE1CDK2
SCHEMBL3445251 0.78 CDK2 (0.44) LCKBTKCDK1CDK5CCNE1
SCHEMBL3445230 0.78 CDK2 (0.40) CDK1CDK5CCNE2CCNE1CDK2
SCHEMBL6203788 0.77 CCNE2 (0.32) CDK1CDK5CCNE2CCNE1CDK2

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