SCHEMBL1462972

SCHEMBL1462972

O=C(Nc1cc(-c2nc(NCC3CCOCC3)c(Cl)cc2Cl)ccn1)[C@@H]1CCCNC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 19/20 0.61
CCNT1 O60563 2/20 0.61

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
SCHEMBL1945709 0.90 CDK9 (0.58) CDK9CCNT1
SCHEMBL1462794 0.87 CDK9 (0.74) CDK9CCNT1
SCHEMBL10285332 0.86 CDK9 (0.57) CDK9CCNT1
SCHEMBL10241705 0.83 CDK9 (0.58) CDK9CCNT1
SCHEMBL1461894 0.82 CCNT1 (0.45) CDK9CCNT1
SCHEMBL1946510 0.81 CDK9 (0.59) CDK9CCNT1
SCHEMBL10285503 0.80 CDK9 (0.75) CDK9CCNT1
SCHEMBL1946281 0.79 CDK9 (0.87) CDK9CCNT1
SCHEMBL1946434 0.77 CDK9 (0.72) CDK9CCNT1
SCHEMBL1945805 0.77 CDK9 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed