SCHEMBL6206721

SCHEMBL6206721

O=C(O)CCCC(=O)NCCOCCOCCOCCNC(=O)COc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.64
CCND1 P24385 20/20 0.64
CCNE2 O96020 12/20 0.64
CCNE1 P24864 12/20 0.64
CDK2 P24941 12/20 0.64
CIT O14578 1/20 0.57
GAK O14976 1/20 0.57
CCNT1 O60563 1/20 0.57
STK16 O75716 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
CDK1 P06493 1/20 0.57
PDGFRB P09619 1/20 0.57
BCR P11274 1/20 0.57
CCNB1 P14635 1/20 0.57
ERCC2 P18074 1/20 0.57
CSNK2A2 P19784 1/20 0.57
JAK1 P23458 1/20 0.57
CCND3 P30281 1/20 0.57
FLT3 P36888 1/20 0.57

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
SCHEMBL6206724 0.95 CDK4 (0.57) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL12869847 0.86 CDK4 (0.62) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL13228823 0.86 CDK4 (0.64) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1115750 0.86 CDK4 (0.81) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6206727 0.84 CDK4 (0.58) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3793917 0.84 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3799214 0.84 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4385258 0.83 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10087414 0.82 CDK4 (0.76) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1115749 0.81 CDK4 (0.70) CDK4CCND1CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364212-A4 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2005-05-04 EP disclosed
EP-1364212-A2 THREE HYBRID ASSAY SYSTEM GPC Biotech AG (DE) 2003-11-26 EP disclosed
WO-2002070662-A2 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2002-09-12 WO disclosed