SCHEMBL2597599

SCHEMBL2597599

N#Cc1cc(Nc2ncc(OCc3ccccc3)cn2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.44
KDR P35968 4/20 0.44
GRM4 Q14833 1/20 0.42
MAP3K8 P41279 2/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
IMPDH2 P12268 1/20 0.40
CDK1 P06493 3/20 0.40
SYK P43405 2/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL2597600 0.79 SYK (0.49) ABCG2KDRGRM4SYKCDK2
SCHEMBL4753464 0.78 MAOB (0.74) MAOBIMPDH2
SCHEMBL15145210 0.77 KMT2A (0.48) MAOBSYK
SCHEMBL2597602 0.75 KDR (0.44) ABCG2KDRGRM4CDK1SYK
SCHEMBL24127052 0.72 ABCG2 (0.56) ABCG2GRM4AR
SCHEMBL2597608 0.71 CCNT1 (0.47) CDK1CDK2CDK9
SCHEMBL3594258 0.71 CTSV (0.56) MAOBCTSVCTSLSYK
SCHEMBL3589681 0.71 SYK (0.48) MAOBCTSVCTSLSYKCDK2
SCHEMBL22273618 0.70 MAP3K8 (0.53) ABCG2GRM4MAP3K8CDK9
SCHEMBL427002 0.70 MAOB (0.74) MAOBIMPDH2

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 3 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
WO-2011144577-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed