SCHEMBL7089467

SCHEMBL7089467

Nc1ccc2c(c1)/C(=C(/Nc1cccc(Br)c1)c1ccccc1)C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CCNB1 P14635 1/20 0.41
CCR6 P51684 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
BRAF P15056 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7984608 1.00 PDPK1 (0.46) PDPK1MEN1KMT2ALMNAHPGD
SCHEMBL7087980 0.92 PDPK1 (0.50) PDPK1MEN1KMT2ALMNAALDH1A1
SCHEMBL7087977 0.92 PDPK1 (0.50) PDPK1MEN1KMT2ALMNAALDH1A1
SCHEMBL29643001 0.91 PDPK1 (0.45) PDPK1CCNB2CDK1HSP90AA1CCNB1
SCHEMBL7086761 0.91 PDPK1 (0.45) PDPK1CCNB2CDK1HSP90AA1CCNB1
SCHEMBL7086762 0.91 PDPK1 (0.45) PDPK1CCNB2CDK1HSP90AA1CCNB1
SCHEMBL7084766 0.89 PDPK1 (0.48) PDPK1MEN1KMT2ALMNANPC1
SCHEMBL7084763 0.89 PDPK1 (0.48) PDPK1MEN1KMT2ALMNANPC1
SCHEMBL7082441 0.89 PDPK1 (0.45) PDPK1CCNB2CDK1HSP90AA1CCNB1
SCHEMBL7082439 0.89 PDPK1 (0.45) PDPK1CCNB2CDK1HSP90AA1CCNB1

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 4 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
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US 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