SCHEMBL12850433

SCHEMBL12850433

Nc1cc(-c2cccc(NCc3ccncc3)n2)c(Cl)cn1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.72

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
SCHEMBL10179422 0.85 CCNT1 (0.85) CCNT1
SCHEMBL1462626 0.84 CCNT1 (1.00) CCNT1
SCHEMBL12889723 0.80 CCNT1 (0.84) CCNT1
SCHEMBL12898624 0.79 CCNT1 (0.60) CCNT1
SCHEMBL9949452 0.78 CCNT1 (0.59) CCNT1
SCHEMBL12850488 0.78 CCNT1 (1.00) CCNT1
SCHEMBL12889732 0.78 CCNT1 (1.00) CCNT1
SCHEMBL12889676 0.78 CCNT1 (0.83) CCNT1
SCHEMBL9950496 0.77 CCNT1 (0.63) CCNT1
SCHEMBL12898171 0.76 CCNT1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed