SCHEMBL10139167

SCHEMBL10139167

Nc1cccc(Nc2ccccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GFER P55789 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
MAPK10 P53779 1/20 0.50
TLR4 O00206 1/20 0.50
TLR2 O60603 1/20 0.50
AHR P35869 1/20 0.49
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
SRC P12931 2/20 0.46
SYK P43405 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
EGFR P00533 2/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43

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
SCHEMBL24270240 0.79 MEN1 (0.59) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL3888498 0.79 MEN1 (0.55) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL29590223 0.79 MEN1 (0.55) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL6804201 0.79 ABL1 (0.60) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL23770974 0.79 MEN1 (0.47) MEN1KMT2AGFERMAPK10SMN1; SMN2
SCHEMBL1062981 0.79 MEN1 (0.50) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL8471004 0.79 EGFR (0.53) MEN1KMT2AGFERMAPK10TLR4
SCHEMBL4667858 0.79 KDM4E (0.53) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL6837492 0.79 RAB9A (0.63) MEN1KMT2AGFERKDM4EMAPT
SCHEMBL3957102 0.79 HTR3E (0.58) MEN1KMT2AGFERMAPK10TLR4

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
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed
CN-101778832-A Oxopyrazine derivative and weedicide KUMIAI CHEMICAL INDUSTRY CO 2010-07-14 CN disclosed
CN-1036650-C process for the preparation of sulfonamide derivatives EISAI CO LTD (JP) 1997-12-10 CN disclosed
CN-1136036-A Sulfonamide derivatives EISAI CO LTD (JP) 1996-11-20 CN disclosed
CN-1059519-A Sulfonamide derivatives EISAI CO LTD (JP) 1992-03-18 CN disclosed