SCHEMBL12465928

SCHEMBL12465928

NC1CCC(Nc2ncc(Cl)c(-c3ccnc(NCC4CCNCC4)c3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.59
KDM1A O60341 1/20 0.46
CDK9 P50750 4/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
MAPK1 P28482 3/20 0.42
HRH4 Q9H3N8 1/20 0.41
PRKCI P41743 1/20 0.41
CCNK O75909 1/20 0.41

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
SCHEMBL12465926 1.00 CCNT1 (0.59) CCNT1KDM1ACDK9CSNK1A1CSNK1D
SCHEMBL12466465 0.81 CCNT1 (0.50) CCNT1CDK9CSNK1A1CSNK1DCSNK1E
SCHEMBL12466469 0.81 CCNT1 (0.50) CCNT1CDK9CSNK1A1CSNK1DCSNK1E
SCHEMBL12465924 0.78 CDK9 (0.42) CCNT1CDK9CSNK1A1CSNK1DCSNK1E
SCHEMBL12466160 0.78 CCNT1 (0.52) CCNT1CDK9CSNK1A1CSNK1DCSNK1E
SCHEMBL12466162 0.78 CCNT1 (0.52) CCNT1CDK9CSNK1A1CSNK1DCSNK1E
SCHEMBL1192916 0.74 CCNT1 (1.00) CCNT1CDK9CCNK
SCHEMBL1191738 0.73 CCNT1 (0.70) CCNT1
SCHEMBL1191736 0.73 CCNT1 (0.70) CCNT1
SCHEMBL31334729 0.73 CCNT1 (0.53) CCNT1CDK9CSNK1A1CSNK1DCSNK1E

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-2012101065-A2 PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed