SCHEMBL7138342

SCHEMBL7138342

COc1ccc(C=C2C(=O)Nc3ccc(Br)c(C)c32)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PLK4 O00444 2/20 0.46
ERBB2 P04626 2/20 0.44
EGFR P00533 1/20 0.44
KDM1A O60341 2/20 0.43
LRRK2 Q5S007 2/20 0.43
RET P07949 3/20 0.43
MEN1 O00255 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41

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
SCHEMBL7138252 0.89 ERBB2 (0.45) ALDH1A1MAPTKMT2AKDM4ECTDSP1
SCHEMBL7138253 0.89 KDM1A (0.54) ALDH1A1MAPTKMT2ATDP1PLK4
SCHEMBL5366009 0.87 ERBB2 (0.62) ALDH1A1MAPTKMT2AKDM4ECTDSP1
SCHEMBL5357895 0.86 IGF1R (0.53) ALDH1A1MAPTKMT2AKDM4EPLK4
SCHEMBL5358747 0.85 PLK4 (0.60) ALDH1A1MAPTKMT2AKDM4ETDP1
SCHEMBL7132141 0.84 KMT2A (0.53) ALDH1A1MAPTKMT2AKDM4ECTDSP1
SCHEMBL5366852 0.83 LRRK2 (0.50) ALDH1A1MAPTKMT2ATDP1PLK4
SCHEMBL7134866 0.81 LRRK2 (0.50) ALDH1A1MAPTKMT2ATDP1LRRK2
SCHEMBL5368885 0.81 KDM4E (0.47) ALDH1A1MAPTKMT2AKDM4EPLK4
SCHEMBL5367223 0.80 CSNK1D (0.58) ALDH1A1MAPTTDP1PLK4LRRK2

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed