SCHEMBL12465798

SCHEMBL12465798

FC(F)(F)c1ncc(NCC2CCOCC2)nc1Cl.Fc1cc(-c2nc(NCC3CCOCC3)cnc2C(F)(F)F)c(Cl)cn1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 18/20 0.67
CCNK O75909 2/20 0.53
CDK9 P50750 2/20 0.53

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
SCHEMBL1192424 0.96 CCNT1 (0.71) CCNT1CCNKCDK9
SCHEMBL1192372 0.87 CCNK (0.61) CCNT1CCNKCDK9
SCHEMBL1192784 0.85 CCNT1 (0.56) CCNT1CCNKCDK9
SCHEMBL1191780 0.83 CCNK (0.59) CCNT1CCNKCDK9
SCHEMBL1439346 0.82 CCNK (0.58) CCNT1CCNKCDK9
SCHEMBL1192708 0.82 CCNT1 (0.63) CCNT1CCNKCDK9
SCHEMBL12898634 0.82 CCNT1 (0.84) CCNT1CCNKCDK9
SCHEMBL1192044 0.80 CCNT1 (1.00) CCNT1CCNKCDK9
SCHEMBL1192043 0.80 CCNT1 (1.00) CCNT1CCNKCDK9
SCHEMBL1192562 0.80 CCNT1 (0.68) CCNT1CCNKCDK9

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-2012101066-A1 PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed