SCHEMBL7476920

SCHEMBL7476920

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.45
TLK2 Q86UE8 3/20 0.40
BRD4 O60885 2/20 0.38
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3B P49841 2/20 0.35
ALK Q9UM73 2/20 0.35
NTRK1 P04629 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
PAK1 Q13153 1/20 0.34

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
SCHEMBL7475417 0.89 RET (0.44) RETTLK2BRD4FLT4KDR
SCHEMBL7479489 0.83 RET (0.42) RETTLK2BRD4FLT4KDR
SCHEMBL6336965 0.82 RET (0.45) RETTLK2BRD4FLT4KDR
SCHEMBL7476129 0.81 RET (0.43) RETTLK2BRD4FLT4KDR
SCHEMBL7472918 0.80 RET (0.54) RETTLK2BRD4FLT4KDR
SCHEMBL7475213 0.80 RET (0.43) RETTLK2BRD4GSK3BALK
SCHEMBL7474781 0.79 RET (0.50) RETTLK2BRD4FLT4KDR
SCHEMBL7473364 0.78 RET (0.47) RETTLK2BRD4FLT4KDR
SCHEMBL7474241 0.77 RET (0.42) RETTLK2BRD4GSK3B
SCHEMBL7475792 0.77 RET (0.48) RETTLK2BRD4NTRK1

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