SCHEMBL14969463

SCHEMBL14969463

COC(=O)c1cc(CNC(=O)OC(C)(C)C)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.48
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
KDM4A O75164 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 2/20 0.37
DYRK1A Q13627 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
TSHR P16473 1/20 0.36
PDPK1 O15530 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL14966057 0.85 PTGES (0.39) ATRTSHRKDM4ELMNA
SCHEMBL26657670 0.83 STK17B (0.47) STK17BSTK17AKDM4ACA12CA1
SCHEMBL30670723 0.83 STK17B (0.47) STK17BSTK17AKDM4ACA12CA1
SCHEMBL22828361 0.79 STK17B (0.44) STK17BSTK17AKDM4APOLBMAPK1
SCHEMBL5270836 0.78 ATR (0.51) ATRSTK17BSTK17AKDM4ACA12
SCHEMBL30381133 0.78 ATR (0.54) ATRSTK17BSTK17ACA12CA1
SCHEMBL29546939 0.77 STK17B (0.45) ATRSTK17BSTK17AKDM4ACA12
SCHEMBL18567056 0.77 STK17B (0.45) ATRSTK17BSTK17AKDM4ACA12
SCHEMBL14969490 0.77 TSHR (0.57) ATRL3MBTL1TSHRLMNA
SCHEMBL24770163 0.77 ALDH1A1 (0.40) POLBATMTSHRKDM4ELMNA

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
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed