SCHEMBL7477241

SCHEMBL7477241

CN(C)CCN(c1ccc(N/C(=C2/C(=O)Nc3cc(-c4ccccc4)ccc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
IRAK4 Q9NWZ3 3/20 0.36
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
CDC42BPA Q5VT25 2/20 0.36
CDK5 Q00535 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
CHEK1 O14757 4/20 0.36
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.34
KDR P35968 2/20 0.34
FLT3 P36888 2/20 0.34
TSHR P16473 1/20 0.34
KIT P10721 1/20 0.34
FLT4 P35916 1/20 0.34
MEN1 O00255 2/20 0.34
PDPK1 O15530 2/20 0.33
EGFR P00533 1/20 0.33
PDGFRB P09619 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
SCHEMBL5785273 1.00 MAOA (0.39) MAOAMAOBIRAK4CDK1CDK2
SCHEMBL5785267 1.00 MAOA (0.39) MAOAMAOBIRAK4CDK1CDK2
SCHEMBL4485044 0.90 KMT2A (0.35) IRAK4CDK1CDK2CDC42BPACDK5
SCHEMBL4485046 0.90 KMT2A (0.35) IRAK4CDK1CDK2CDC42BPACDK5
SCHEMBL4494272 0.90 GAA (0.38) KMT2ATSHRMEN1MAPTHTT
SCHEMBL4484962 0.90 BACE1 (0.38) KMT2AKDRFLT3TSHRKIT
SCHEMBL2564367 0.90 KMT2A (0.37) KMT2AKDRFLT3TSHRKIT
SCHEMBL4494278 0.90 GAA (0.38) KMT2ATSHRMEN1MAPTHTT
SCHEMBL2564369 0.90 KMT2A (0.37) KMT2AKDRFLT3TSHRKIT
SCHEMBL4484967 0.90 BACE1 (0.38) KMT2AKDRFLT3TSHRKIT

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