SCHEMBL1461836

SCHEMBL1461836

Nc1cc(-c2nc(NCCC3CCOCC3)ccc2Cl)c(Cl)cn1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.55
CDK9 P50750 7/20 0.46
CCNK O75909 3/20 0.40

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
SCHEMBL1461838 0.89 CCNT1 (0.68) CCNT1CDK9CCNK
SCHEMBL1463040 0.88 CCNT1 (0.55) CCNT1CDK9CCNK
SCHEMBL1463704 0.80 CCNT1 (0.57) CCNT1CDK9CCNK
SCHEMBL1461943 0.80 CCNT1 (0.57) CCNT1CDK9CCNK
SCHEMBL12850511 0.80 CCNT1 (0.59) CCNT1CDK9
SCHEMBL1462808 0.78 CCNT1 (0.59) CCNT1CDK9
SCHEMBL10180910 0.78 CCNT1 (0.59) CCNT1CDK9
SCHEMBL1947509 0.77 CCNT1 (0.44) CCNT1CDK9
SCHEMBL1947637 0.77 CCNT1 (0.44) CCNT1CDK9
SCHEMBL1461835 0.77 CCNT1 (0.44) 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