SCHEMBL7082447

SCHEMBL7082447

CCOC(=O)CN(C(C)=O)c1ccc(N/C(=C2\C(=O)Nc3ccc(N)cc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.38
PDPK1 O15530 4/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKT2 P31751 2/20 0.35
AKT1 P31749 1/20 0.35
CYP19A1 P11511 3/20 0.34
TNF P01375 1/20 0.34
PRSS12 P56730 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 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
SCHEMBL7082450 1.00 RET (0.38) RETPDPK1IDO1TDO2RXFP1
SCHEMBL6319480 0.90 IDO1 (0.47) IDO1TDO2RXFP1L3MBTL1CYP19A1
SCHEMBL6319476 0.90 IDO1 (0.47) IDO1TDO2RXFP1L3MBTL1CYP19A1
SCHEMBL7089162 0.87 NPC1 (0.38) RETPDPK1IDO1TDO2L3MBTL1
SCHEMBL7089165 0.87 NPC1 (0.38) RETPDPK1IDO1TDO2L3MBTL1
SCHEMBL7087999 0.85 MEN1 (0.43) PDPK1IDO1TDO2RXFP1L3MBTL1
SCHEMBL7088005 0.85 MEN1 (0.43) PDPK1IDO1TDO2RXFP1L3MBTL1
SCHEMBL6319000 0.84 IDO1 (0.47) IDO1TDO2RXFP1L3MBTL1CYP19A1
SCHEMBL6318992 0.84 IDO1 (0.47) IDO1TDO2RXFP1L3MBTL1CYP19A1
SCHEMBL6319433 0.83 IDO1 (0.47) IDO1TDO2RXFP1L3MBTL1CYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed