SCHEMBL7479489

SCHEMBL7479489

COc1cc2c(cc1OC)C(=CCCNc1ccc(N(CCCN)C(C)=O)cc1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.42
TLK2 Q86UE8 3/20 0.37
GSK3B P49841 2/20 0.36
NOX4 Q9NPH5 1/20 0.35
BRD4 O60885 1/20 0.35
LRRK2 Q5S007 1/20 0.35
FLT3 P36888 2/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MAPK3 P27361 1/20 0.34
CHEK1 O14757 1/20 0.33
ALK Q9UM73 1/20 0.33
NTRK1 P04629 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL7476129 0.90 RET (0.43) RETTLK2GSK3BNOX4BRD4
SCHEMBL7481674 0.84 RET (0.41) RETTLK2GSK3BNOX4BRD4
SCHEMBL6337061 0.83 RET (0.42) RETTLK2GSK3BNOX4BRD4
SCHEMBL7476920 0.83 RET (0.45) RETTLK2GSK3BNOX4BRD4
SCHEMBL7475213 0.82 RET (0.43) RETTLK2GSK3BBRD4LRRK2
SCHEMBL7472918 0.81 RET (0.54) RETTLK2GSK3BNOX4BRD4
SCHEMBL479685 0.78 CHEK1 (0.37) RETLRRK2FLT3KDRCHEK1
SCHEMBL7475417 0.78 RET (0.44) RETTLK2GSK3BNOX4BRD4
SCHEMBL6337067 0.78 RET (0.39) RETGSK3BBRD4MAPK3CHEK1
SCHEMBL7479481 0.78 RET (0.39) RETGSK3BBRD4MAPK3CHEK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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