SCHEMBL10179671

SCHEMBL10179671

Clc1cnccc1-c1cccc(NCC2CCOCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 19/20 0.61
CDK9 P50750 4/20 0.55
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL12501767 0.88 CCNT1 (0.59) CCNT1
SCHEMBL10179002 0.85 CCNT1 (0.58) CCNT1CDK9
SCHEMBL10179196 0.83 CCNT1 (0.60) CCNT1CDK9
SCHEMBL12501658 0.83 CCNT1 (0.48) CCNT1CDK9
SCHEMBL1463033 0.81 CCNT1 (0.68) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1192532 0.81 CCNT1 (0.72) CCNT1CDK9
SCHEMBL12827065 0.80 CCNT1 (0.75) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL12826904 0.78 CCNT1 (0.69) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL1946717 0.78 CCNT1 (0.63) CCNT1CDK9HDAC3HDAC1HDAC6
SCHEMBL10181535 0.78 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 claimed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed