SCHEMBL1439210

SCHEMBL1439210

Cc1ncc(NCC2CCOCC2)nc1-c1cc(NC(=O)C2CCCNC2)ncc1Cl

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 17/20 0.68
CCNT1 O60563 5/20 0.68

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
SCHEMBL1439390 1.00 CDK9 (0.68) CDK9CCNT1
SCHEMBL10285320 0.94 CDK9 (0.69) CDK9CCNT1
SCHEMBL10285345 0.91 CDK9 (0.71) CDK9CCNT1
SCHEMBL10285429 0.91 CDK9 (0.66) CDK9CCNT1
SCHEMBL1946434 0.90 CDK9 (0.72) CDK9CCNT1
SCHEMBL1945805 0.90 CDK9 (0.72) CDK9CCNT1
SCHEMBL10285318 0.89 CDK9 (0.63) CDK9CCNT1
SCHEMBL12501742 0.89 CDK9 (0.74) CDK9CCNT1
SCHEMBL1946412 0.88 CDK9 (0.68) CDK9CCNT1
SCHEMBL1464121 0.88 CDK9 (0.77) CDK9CCNT1

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
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed