SCHEMBL7139752

SCHEMBL7139752

Cc1c(O)ccc(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
SIRT1 Q96EB6 3/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
SIRT3 Q9NTG7 2/20 0.36
RAF1 P04049 4/20 0.33
MAP1LC3B Q9GZQ8 3/20 0.33
LRRK2 Q5S007 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
EGFR P00533 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
XBP1 P17861 1/20 0.33
NTSR1 P30989 1/20 0.33
PLK4 O00444 2/20 0.32
CISD1 Q9NZ45 1/20 0.32

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
SCHEMBL7137611 0.93 MAP3K7 (0.47) MAP3K7TAB1SIRT1SIRT2SIRT3
SCHEMBL7135224 0.87 MAP3K7 (0.38) MAP3K7TAB1SIRT1SIRT2SIRT3
SCHEMBL7132313 0.85 GAA (0.45) MAPTKMT2AMAPK1MEN1POLB
SCHEMBL7132942 0.85 PTP4A3 (0.45) SIRT1MAP1LC3BMAPTKMT2APLK4
SCHEMBL7138173 0.85 TDP1 (0.39) SIRT1SIRT2SIRT3MAP1LC3BLRRK2
SCHEMBL7134752 0.84 PLK4 (0.48) MAP3K7TAB1SIRT1SIRT2SIRT3
SCHEMBL7138047 0.83 LRRK2 (0.43) SIRT1SIRT2SIRT3LRRK2MAPT
SCHEMBL7131271 0.82 ERN1 (0.38) MAP3K7TAB1SIRT1SIRT2SIRT3
SCHEMBL5363330 0.82 MAP3K7 (0.43) MAP3K7TAB1SIRT1SIRT2SIRT3
SCHEMBL8193593 0.81 PLK4 (0.51) LRRK2MAPTKMT2AALDH1A1PLK4

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