SCHEMBL2597549

SCHEMBL2597549

N#Cc1cccc(Nc2ncc(Oc3cccc(N4CCOCC4)c3)cn2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
F10 P00742 1/20 0.42
LRRK2 Q5S007 2/20 0.41
JAK2 O60674 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 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
SCHEMBL2597583 0.87 CCNT1 (0.44) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL2597649 0.84 CCNT1 (0.45) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL31054180 0.84 CCNT1 (0.52) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL2597569 0.84 CCNT1 (0.52) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL2597767 0.81 CCNT1 (0.42) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL2597604 0.80 CCNT1 (0.47) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL2597585 0.80 HDAC3 (0.48) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL2597598 0.79 HDAC3 (0.53) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL2597630 0.79 JAK2 (0.51) CCNT1CCNE1CDK2CDK9HDAC3
SCHEMBL2598615 0.76 JAK2 (0.45) CCNT1CCNE1CDK2CDK9HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571856-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP claimed
WO-2011144577-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO claimed
EP-2571856-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
WO-2011144577-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed