SCHEMBL12898145

SCHEMBL12898145

C=C(c1cc(-c2ccc(F)c(NCC3CCOCC3)n2)c(Cl)cn1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.62
CDK9 P50750 4/20 0.62
CCNK O75909 3/20 0.47

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
SCHEMBL1191982 0.83 CCNT1 (0.68) CCNT1CDK9CCNK
SCHEMBL12850539 0.82 CCNT1 (0.81) CCNT1CDK9CCNK
SCHEMBL1463086 0.81 CCNT1 (0.66) CCNT1CDK9CCNK
SCHEMBL16588554 0.81 CCNT1 (0.66) CCNT1CDK9CCNK
SCHEMBL12826909 0.78 CCNT1 (0.71) CCNT1CDK9CCNK
SCHEMBL1947114 0.77 CDK9 (1.00) CCNT1CDK9
SCHEMBL12565538 0.77 CDK9 (1.00) CCNT1CDK9
SCHEMBL1946295 0.77 CDK9 (1.00) CCNT1CDK9
SCHEMBL1192233 0.76 CDK9 (0.66) CCNT1CDK9CCNK
SCHEMBL12565541 0.76 CCNT1 (0.75) CCNT1CDK9CCNK

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-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 WO disclosed