SCHEMBL7480959

SCHEMBL7480959

CCCNCc1ccc(N/C(CC)=C2/C(=O)Nc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.43
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL6330730 1.00 RET (0.43) RETHTR1AHTR1DHTR1BHTR2A
SCHEMBL6330739 1.00 RET (0.43) RETHTR1AHTR1DHTR1BHTR2A
SCHEMBL6331150 0.94 RET (0.42) RETHTR1AHTR1DHTR2AHTR2C
SCHEMBL6331159 0.94 RET (0.42) RETHTR1AHTR1DHTR2AHTR2C
SCHEMBL6338488 0.92 RET (0.42) RETHTR1AHTR1DHTR1BHTR2A
SCHEMBL6338483 0.92 RET (0.42) RETHTR1AHTR1DHTR1BHTR2A
SCHEMBL6329682 0.90 RET (0.48) RETKMT2AMEN1ATMKDM4E
SCHEMBL6329674 0.90 RET (0.48) RETKMT2AMEN1ATMKDM4E
SCHEMBL6336573 0.89 RET (0.43) RETHTR7KMT2AMEN1ATM
SCHEMBL6336574 0.89 RET (0.43) RETHTR7KMT2AMEN1ATM

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