SCHEMBL6161270

SCHEMBL6161270

C[AsH]c1nc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.78
CDK4 P11802 11/20 0.75
CCNT1 O60563 4/20 0.75
CDK9 P50750 4/20 0.75
ABL1 P00519 4/20 0.75
CDK1 P06493 2/20 0.75
CCNB1 P14635 2/20 0.75
CCNA2 P20248 2/20 0.75
CDK7 P50613 2/20 0.75
CCNH P51946 2/20 0.75
AURKA O14965 1/20 0.75
CCNB2 O95067 1/20 0.75
CCNE2 O96020 1/20 0.75
CCND1 P24385 1/20 0.75
CCNE1 P24864 1/20 0.75
ABL2 P42684 1/20 0.75
GSK3B P49841 1/20 0.75
MNAT1 P51948 1/20 0.75
CDK5 Q00535 1/20 0.75
CDK5R1 Q15078 1/20 0.75

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
SCHEMBL6156443 0.88 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL29354713 0.88 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL1368256 0.86 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL4615663 0.86 CDK2 (0.81) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL29644994 0.86 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL2282051 0.85 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL4616130 0.85 CDK2 (0.80) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL4803955 0.84 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL2289217 0.84 CDK2 (0.74) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL2288580 0.83 CDK2 (0.77) CDK2CDK4CCNT1CDK9ABL1

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-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed