SCHEMBL6320091

SCHEMBL6320091

CC(=O)NCC(=O)Nc1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6320099 1.00 POLB (0.41) POLBPKMIDO1TDO2KMT2A
SCHEMBL6320790 0.87 ALDH1A1 (0.49) POLBIDO1TDO2KMT2AMEN1
SCHEMBL6320785 0.87 ALDH1A1 (0.49) POLBIDO1TDO2KMT2AMEN1
SCHEMBL6328129 0.87 PTPN1 (0.49) POLBIDO1TDO2KMT2AMEN1
SCHEMBL6328124 0.87 PTPN1 (0.49) POLBIDO1TDO2KMT2AMEN1
SCHEMBL6318812 0.86 RAB9A (0.52) POLBIDO1TDO2KMT2AMEN1
SCHEMBL6318809 0.86 RAB9A (0.52) POLBIDO1TDO2KMT2AMEN1
SCHEMBL6320651 0.86 IDO1 (0.39) POLBIDO1TDO2KMT2AMEN1
SCHEMBL6320644 0.86 IDO1 (0.39) POLBIDO1TDO2KMT2AMEN1
SCHEMBL6328078 0.86 MAPK10 (0.40) POLBIDO1TDO2KMT2AMEN1

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
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed