SCHEMBL7138221

SCHEMBL7138221

COc1ccc(O)c(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
ERN1 O75460 1/20 0.43
MDM2 Q00987 2/20 0.43
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
AR P10275 1/20 0.38
KDM1A O60341 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
CA2 P00918 1/20 0.37
LCK P06239 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37

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
SCHEMBL7131374 0.91 GSK3B (0.49) LRRK2MDM2GSK3BARSIRT2
SCHEMBL7137571 0.88 POLB (0.50) LRRK2MDM2ALDH1A1MAPTSIRT2
SCHEMBL7135667 0.86 LRRK2 (0.42) LRRK2MDM2KDM1ASIRT2SIRT1
SCHEMBL7132942 0.86 PTP4A3 (0.45) ERN1MAPTKDM1ASIRT1MEN1
SCHEMBL7138173 0.86 TDP1 (0.39) LRRK2ALDH1A1MAPTSIRT2SIRT1
SCHEMBL7138224 0.85 MDM2 (0.54) LRRK2MDM2ALDH1A1MAPTCA2
SCHEMBL5357671 0.84 LRRK2 (0.51) LRRK2ERN1MDM2ALDH1A1MAPT
SCHEMBL7138047 0.84 LRRK2 (0.43) LRRK2ERN1MDM2ALDH1A1MAPT
SCHEMBL7134752 0.82 PLK4 (0.48) GSK3BALDH1A1MAPTSIRT2SIRT1
SCHEMBL7138260 0.82 METAP1 (0.55) LRRK2GSK3BKDM1AMEN1KMT2A

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