SCHEMBL1439593

SCHEMBL1439593

CS(=O)(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.62
CDK9 P50750 7/20 0.51
CCNK O75909 3/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL1439347 1.00 CCNT1 (0.62) CCNT1CDK9CCNKPOLB
SCHEMBL10285625 1.00 CCNT1 (0.62) CCNT1CDK9CCNKPOLB
SCHEMBL12818257 0.94 CCNT1 (0.61) CCNT1CDK9CCNK
SCHEMBL1439961 0.94 CCNT1 (0.62) CCNT1CDK9CCNK
SCHEMBL1439893 0.94 CCNT1 (0.62) CCNT1CDK9CCNK
SCHEMBL10285750 0.93 CCNT1 (0.61) CCNT1CDK9CCNK
SCHEMBL1439529 0.92 CCNT1 (0.60) CCNT1CDK9CCNK
SCHEMBL12819649 0.92 CCNT1 (0.52) CCNT1CDK9POLB
SCHEMBL1439813 0.92 CCNT1 (0.60) CCNT1CDK9CCNK
SCHEMBL1946729 0.91 CCNT1 (0.56) CCNT1CDK9

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