SCHEMBL10179002

SCHEMBL10179002

CC1(C)C[C@H](CNc2cccc(-c3ccncc3Cl)n2)CCO1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.58
CDK9 P50750 3/20 0.58

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
SCHEMBL1462699 0.85 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1463721 0.85 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1947398 0.85 CCNT1 (0.55) CCNT1CDK9
SCHEMBL10179671 0.85 CCNT1 (0.61) CCNT1CDK9
SCHEMBL15378010 0.85 CCNT1 (0.57) CCNT1CDK9
SCHEMBL1463804 0.85 CCNT1 (0.57) CCNT1CDK9
SCHEMBL12501767 0.81 CCNT1 (0.59) CCNT1
SCHEMBL1192490 0.80 CCNT1 (0.72) CCNT1
SCHEMBL1192031 0.80 CCNT1 (0.72) CCNT1
SCHEMBL1192060 0.77 CCNT1 (0.65) 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 1 patent. 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