SCHEMBL7480965

SCHEMBL7480965

CCCNCc1ccc(NCCC=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.45
TLK2 Q86UE8 3/20 0.41
BRD4 O60885 2/20 0.41
NTRK1 P04629 4/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
HTR6 P50406 1/20 0.37
NTRK3 Q16288 1/20 0.37
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 2/20 0.35
PARP1 P09874 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
SCHEMBL7474781 0.83 RET (0.50) RETTLK2BRD4FLT4KDR
SCHEMBL7475213 0.82 RET (0.43) RETTLK2BRD4NTRK1NTRK3
SCHEMBL7473364 0.82 RET (0.47) RETTLK2BRD4FLT4KDR
SCHEMBL6330735 0.82 RET (0.44) RETTLK2BRD4NTRK1HTR1A
SCHEMBL7475792 0.82 RET (0.48) RETTLK2BRD4NTRK1
SCHEMBL7472918 0.81 RET (0.54) RETTLK2BRD4NTRK3FLT4
SCHEMBL7473409 0.80 TLK2 (0.44) RETTLK2BRD4NTRK1NTRK3
SCHEMBL7474878 0.79 ACHE (0.42) RETTLK2
SCHEMBL6331156 0.76 RET (0.43) RETTLK2BRD4HTR1AHTR1D
SCHEMBL7468285 0.76 BRD4 (0.41) RETTLK2BRD4NTRK1NTRK3

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