SCHEMBL1463048

SCHEMBL1463048

CCS(=O)(=O)N1CCCC(C(=O)Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.56
CDK9 P50750 12/20 0.53
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1945774 1.00 CCNT1 (0.56) CCNT1CDK9SMN1; SMN2
SCHEMBL1462654 0.94 CCNT1 (0.56) CCNT1CDK9SMN1; SMN2
SCHEMBL10285406 0.93 CDK9 (0.52) CCNT1CDK9
SCHEMBL1946243 0.92 CCNT1 (0.54) CCNT1CDK9SMN1; SMN2
SCHEMBL1461795 0.92 CCNT1 (0.54) CCNT1CDK9SMN1; SMN2
SCHEMBL1945725 0.90 CCNT1 (0.56) CCNT1CDK9
SCHEMBL10241790 0.89 CDK9 (0.54) CCNT1CDK9SMN1; SMN2
SCHEMBL1439961 0.88 CCNT1 (0.62) CCNT1CDK9
SCHEMBL1439893 0.88 CCNT1 (0.62) CCNT1CDK9
SCHEMBL1945893 0.88 CCNT1 (0.59) 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-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO claimed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed