SCHEMBL1462780

SCHEMBL1462780

CC(C)(C)N1CCC[C@@H](C(=O)Nc2cc(-c3cccc(F)n3)c(Cl)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 14/20 0.47
CCNT1 O60563 9/20 0.45
CDK4 P11802 3/20 0.45
CCND1 P24385 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA2 P20248 1/20 0.45
ABL1 P00519 3/20 0.44
CDK1 P06493 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
SCHEMBL1944753 0.87 CCNT1 (0.54) CDK9CCNT1CDK4CCND1CDK2
SCHEMBL1944749 0.87 CCNT1 (0.54) CDK9CCNT1CDK4CCND1CDK2
SCHEMBL12501652 0.80 CDK9 (0.43) CDK9CCNT1CDK4CCND1CDK2
SCHEMBL1224704 0.77 CCNT1 (0.56) CCNT1
SCHEMBL1947213 0.74 CCNT1 (0.74) CCNT1
SCHEMBL1465512 0.74 CCNT1 (0.74) CCNT1
SCHEMBL1465429 0.74 CCNT1 (0.74) CCNT1
SCHEMBL1462840 0.74 CCNT1 (0.57) CDK9CCNT1
SCHEMBL1191970 0.73 CCNT1 (0.75) CCNT1
SCHEMBL12501693 0.73 CDK9 (0.51) CDK9CCNT1CDK4CDK2CDK1

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