SCHEMBL6780227

SCHEMBL6780227

COc1cc2c(cc1OC)C(=CC(C)Nc1ccc(N(C(C=O)N3CCCCC3)S(C)(=O)=O)cc1)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.36
TLK2 Q86UE8 3/20 0.35
BRD4 O60885 2/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ACHE P22303 1/20 0.31
PAK1 Q13153 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31

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
SCHEMBL6330913 0.99 RET (0.37) RETTLK2BRD4GAALMNA
SCHEMBL6774320 0.93 RET (0.36) RETTLK2BRD4PSEN1PSEN2
SCHEMBL6328460 0.92 PAK1 (0.37) RETTLK2BRD4ACHEPAK1
SCHEMBL6329170 0.87 RET (0.39) RETTLK2PAK1
SCHEMBL6330782 0.82 PAK1 (0.36) RETBRD4GAALMNAACHE
SCHEMBL6332399 0.81 PAK1 (0.37) RETTLK2BRD4GAALMNA
SCHEMBL6330542 0.79 RET (0.42) RETTLK2ACHEPAK1L3MBTL1
SCHEMBL6329051 0.79 RET (0.36) RETTLK2BRD4PSEN1PSEN2
SCHEMBL6329157 0.77 RET (0.45) RETTLK2BRD4PSEN1PSEN2
SCHEMBL6329200 0.77 ACHE (0.45) RETLMNAACHE

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-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US disclosed
EP-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed