SCHEMBL1462763

SCHEMBL1462763

Nc1cc(-c2nc(NCC3CCOCC3)ccc2Cl)ccn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.71
CDK9 P50750 13/20 0.56
CCNK O75909 3/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL1192322 0.88 CCNT1 (0.69) CCNT1CDK9CCNKPIM1PIM2
SCHEMBL1192916 0.83 CCNT1 (1.00) CCNT1CDK9CCNK
SCHEMBL1461838 0.83 CCNT1 (0.68) CCNT1CDK9CCNK
SCHEMBL12898647 0.83 CCNT1 (0.82) CCNT1CDK9CCNK
SCHEMBL10179383 0.80 CCNT1 (0.48) CCNT1CDK9CCNK
SCHEMBL1226139 0.80 CCNT1 (0.48) CCNT1CDK9CCNK
SCHEMBL1463704 0.80 CCNT1 (0.57) CCNT1CDK9CCNK
SCHEMBL1225532 0.80 CCNT1 (0.52) CCNT1CDK9PIM1PIM2
SCHEMBL1464131 0.79 CCNT1 (0.46) CCNT1CDK9
SCHEMBL12501629 0.79 CCNT1 (0.46) 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
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