SCHEMBL214570

SCHEMBL214570

Cc1ccc(C)c(NC(=O)c2nc[nH]c2C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
APOBEC3A P31941 1/20 0.51
CYP2C19 P33261 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL4105577 0.90 GAA (0.55) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL14222699 0.85 MAPT (0.78) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL215766 0.84 GAA (0.76) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL14222951 0.83 MAPT (0.67) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL14222705 0.81 MAPT (0.67) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL14222310 0.78 MAPT (0.50) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL213976 0.76 MAPT (0.71) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL2735385 0.76 NPC1 (0.54) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL214765 0.76 KDM4E (0.59) GAAALDH1A1KMT2AKDM4ETDP1
SCHEMBL213701 0.74 MAPT (0.75) GAAMAPTALDH1A1KMT2AKDM4E

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed