SCHEMBL10179196

SCHEMBL10179196

Clc1cnccc1-c1nc(NCC2CCOCC2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.60
CDK9 P50750 8/20 0.59

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
SCHEMBL10179671 0.83 CCNT1 (0.61) CCNT1CDK9
SCHEMBL1461838 0.81 CCNT1 (0.68) CCNT1CDK9
SCHEMBL1192562 0.81 CCNT1 (0.68) CCNT1CDK9
SCHEMBL12501658 0.79 CCNT1 (0.48) CCNT1CDK9
SCHEMBL1191988 0.78 CCNT1 (0.59) CCNT1CDK9
SCHEMBL12826655 0.78 CCNT1 (0.69) CCNT1CDK9
SCHEMBL1947988 0.77 CCNT1 (0.70) CCNT1CDK9
SCHEMBL12898146 0.77 CCNT1 (0.82) CCNT1CDK9
SCHEMBL1463704 0.76 CCNT1 (0.57) CCNT1CDK9
SCHEMBL1192294 0.75 CCNT1 (1.00) CCNT1

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 3 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
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed