SCHEMBL2597608

SCHEMBL2597608

N#Cc1cc(Nc2ncc(Oc3cccc(N4CCCC4)c3)cn2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.47
CDK2 P24941 8/20 0.47
CDK9 P50750 8/20 0.47
CCNA2 P20248 7/20 0.47
CDK1 P06493 6/20 0.47
CCNB1 P14635 6/20 0.47
CDK7 P50613 6/20 0.47
CCNH P51946 6/20 0.47
CCNA1 P78396 6/20 0.47
CCNE1 P24864 1/20 0.41
APP P05067 1/20 0.38
CAMK2D Q13557 1/20 0.37
JAK2 O60674 3/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
GALR2 O43603 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL2597569 0.91 CCNT1 (0.52) CCNT1CDK2CDK9CCNA2CDK1
SCHEMBL31054180 0.91 CCNT1 (0.52) CCNT1CDK2CDK9CCNA2CDK1
SCHEMBL2598615 0.88 JAK2 (0.45) CCNT1CDK2CDK9CCNA2CDK1
SCHEMBL2597602 0.82 KDR (0.44) CDK1APP
SCHEMBL2597585 0.80 HDAC3 (0.48) CCNT1CDK2CDK9CCNA2CCNE1
SCHEMBL2597643 0.80 GRM5 (0.44) CCNT1CDK2CDK9CCNA2CDK1
SCHEMBL2597630 0.78 JAK2 (0.51) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL2597767 0.78 CCNT1 (0.42) CCNT1CDK2CDK9CCNA2CDK1
SCHEMBL3594431 0.78 APP (0.61) CCNT1CDK2CDK9CCNA2CDK1
SCHEMBL2597598 0.75 HDAC3 (0.53) CCNT1CDK2CDK9CCNA2CDK1

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 5 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
WO-2011144577-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed