SCHEMBL16588570

SCHEMBL16588570

COCCN[C@H]1CC[C@H](Nc2cc(-c3nc(NC[C@@H]4CCCCO4)ccc3Cl)c(Cl)cn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.78
CCNK O75909 10/20 0.54
CDK9 P50750 10/20 0.54

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
SCHEMBL1192438 0.88 CCNT1 (1.00) CCNT1CCNKCDK9
SCHEMBL1192286 0.88 CCNT1 (1.00) CCNT1CCNKCDK9
SCHEMBL1192004 0.86 CCNT1 (0.77) CCNT1CCNKCDK9
SCHEMBL16588571 0.85 CCNK (0.64) CCNT1CCNKCDK9
SCHEMBL1192222 0.81 CCNT1 (0.77) CCNT1
SCHEMBL15088533 0.81 CCNT1 (0.77) CCNT1
SCHEMBL1192259 0.81 CCNT1 (0.77) CCNT1
SCHEMBL12889616 0.80 CCNT1 (0.65) CCNT1CCNKCDK9
SCHEMBL1191951 0.79 CCNT1 (0.69) CCNT1CCNKCDK9
SCHEMBL1192257 0.79 CCNT1 (0.69) 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
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 EP disclosed