SCHEMBL7137447

SCHEMBL7137447

O=C1Nc2c(Br)cc(Br)cc2C1=Cc1ccc(O)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.59
PLK4 O00444 1/20 0.56
CISD1 Q9NZ45 2/20 0.51
MAP1LC3B Q9GZQ8 2/20 0.51
SIRT1 Q96EB6 4/20 0.48
SIRT2 Q8IXJ6 2/20 0.48
SIRT3 Q9NTG7 2/20 0.48
RAF1 P04049 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM1A O60341 1/20 0.44
EP300 Q09472 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
EGFR P00533 1/20 0.43
NTRK1 P04629 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
SCHEMBL5361431 0.88 METAP1 (0.54) LRRK2PLK4MAP1LC3BSIRT1SIRT2
SCHEMBL5365589 0.85 KMT2A (0.51) PLK4MAP1LC3BSIRT1SIRT2SIRT3
SCHEMBL5362718 0.84 MAP1LC3B (0.67) LRRK2PLK4MAP1LC3BSIRT1SIRT2
SCHEMBL7134818 0.84 MAP1LC3B (0.60) LRRK2PLK4MAP1LC3BSIRT1SIRT2
SCHEMBL7134847 0.83 KDM1A (0.58) PLK4MAP1LC3BMEN1KMT2AKDM1A
SCHEMBL7131372 0.82 SIRT1 (0.48) LRRK2PLK4MAP1LC3BSIRT1SIRT2
SCHEMBL7137977 0.82 PLK4 (0.44) LRRK2PLK4MAP1LC3BSIRT1SIRT2
SCHEMBL7134362 0.82 SIRT2 (0.51) LRRK2PLK4MAP1LC3BSIRT1SIRT2
SCHEMBL5361680 0.81 SIRT2 (0.54) PLK4MAP1LC3BSIRT1SIRT2SIRT3
SCHEMBL7136821 0.81 LRRK2 (0.51) LRRK2PLK4SIRT1SIRT2SIRT3

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO disclosed