SCHEMBL2597602

SCHEMBL2597602

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.44
APP P05067 1/20 0.41
EGFR P00533 5/20 0.40
ERBB2 P04626 4/20 0.39
CDK1 P06493 1/20 0.39
SYK P43405 2/20 0.39
PRKCQ Q04759 4/20 0.39
GAK O14976 1/20 0.39
GRM4 Q14833 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
RAF1 P04049 1/20 0.37
MAP2K1 Q02750 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
SCHEMBL2597608 0.82 CCNT1 (0.47) APPCDK1
SCHEMBL31054180 0.80 CCNT1 (0.52) CDK1SYK
SCHEMBL2597569 0.80 CCNT1 (0.52) CDK1SYK
SCHEMBL2597599 0.75 MAOB (0.47) KDRCDK1SYKGRM4ABCG2
SCHEMBL2597600 0.74 SYK (0.49) KDREGFRERBB2SYKGRM4
SCHEMBL2598615 0.73 JAK2 (0.45) CDK1SYK
SCHEMBL2597643 0.72 GRM5 (0.44) KDRAPPCDK1SYK
SCHEMBL2597585 0.68 HDAC3 (0.48) MAP2K1
SCHEMBL2597630 0.66 JAK2 (0.51) CDK1RAF1MAP2K1
SCHEMBL31395723 0.65 CDK8 (0.47) KDREGFRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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