SCHEMBL1225952

SCHEMBL1225952

N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCN(CC=O)C4)n3)c(Cl)cn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.76

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
SCHEMBL1192268 0.86 CCNT1 (1.00) CCNT1
SCHEMBL1192269 0.86 CCNT1 (1.00) CCNT1
SCHEMBL12850639 0.86 CCNT1 (1.00) CCNT1
SCHEMBL12889668 0.84 CCNT1 (1.00) CCNT1
SCHEMBL12889467 0.84 CCNT1 (1.00) CCNT1
SCHEMBL15378157 0.83 CCNT1 (0.91) CCNT1
SCHEMBL1191971 0.81 CCNT1 (0.82) CCNT1
SCHEMBL1191972 0.81 CCNT1 (0.82) CCNT1
SCHEMBL12850502 0.80 CCNT1 (1.00) CCNT1
SCHEMBL12874505 0.80 CCNT1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 WO disclosed