SCHEMBL7475417

SCHEMBL7475417

CNCC(=O)N(C)c1ccc(NCCC=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.44
TLK2 Q86UE8 3/20 0.38
BRD4 O60885 1/20 0.36
GSK3B P49841 2/20 0.36
FLT3 P36888 2/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
NTRK1 P04629 2/20 0.34
NTRK3 Q16288 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CSF1R P07333 2/20 0.34
PAK1 Q13153 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
SCHEMBL7476920 0.89 RET (0.45) RETTLK2BRD4GSK3BFLT3
SCHEMBL6329130 0.82 RET (0.44) RETTLK2BRD4GSK3BFLT3
SCHEMBL7476129 0.81 RET (0.43) RETTLK2BRD4GSK3BFLT3
SCHEMBL7472918 0.81 RET (0.54) RETTLK2BRD4GSK3BFLT3
SCHEMBL7474781 0.79 RET (0.50) RETTLK2BRD4GSK3BFLT3
SCHEMBL7481674 0.79 RET (0.41) RETTLK2BRD4GSK3BFLT3
SCHEMBL7479489 0.78 RET (0.42) RETTLK2BRD4GSK3BFLT3
SCHEMBL7473364 0.78 RET (0.47) RETTLK2BRD4GSK3BFLT3
SCHEMBL7474241 0.78 RET (0.42) RETTLK2BRD4GSK3B
SCHEMBL6329135 0.76 RET (0.41) RETBRD4FLT3FLT4KDR

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