SCHEMBL4955593

SCHEMBL4955593

COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccnc(NCc3ccccc3)c2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.51
GSK3A P49840 5/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
SRC P12931 3/20 0.42
SYK P43405 3/20 0.42
SCARB1 Q8WTV0 3/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL4949392 0.92 MAPK14 (0.52) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL4949801 0.89 MAPK14 (0.53) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL4949065 0.85 MAPK14 (0.57) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL4947294 0.85 MAPK14 (0.73) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL4948573 0.85 MAPK14 (0.52) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL4410951 0.84 MAPK14 (0.55) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL4948452 0.83 MAPK14 (0.50) MAPK14GSK3ASRCSYKSCARB1
SCHEMBL4949388 0.82 MAPK14 (0.51) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL4418875 0.81 MAPK14 (0.59) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL1599878 0.79 MAPK14 (0.63) MAPK14SCARB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed