SCHEMBL7088642

SCHEMBL7088642

Nc1ccc2c(c1)/C(=C(/Nc1ccc(Cl)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.44
KDR P35968 6/20 0.42
LRRK2 Q5S007 3/20 0.40
TGM2 P21980 1/20 0.39
CES1 P23141 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
GSK3B P49841 3/20 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
SCHEMBL7972055 1.00 PDPK1 (0.44) PDPK1KDRLRRK2TGM2CES1
SCHEMBL7082903 0.93 PDPK1 (0.47) PDPK1RAB9AKMT2AAKT1AKT2
SCHEMBL7082906 0.93 PDPK1 (0.47) PDPK1RAB9AKMT2AAKT1AKT2
SCHEMBL7086762 0.92 PDPK1 (0.45) PDPK1KDRAKT1AKT2BRD4
SCHEMBL29643001 0.92 PDPK1 (0.45) PDPK1KDRAKT1AKT2BRD4
SCHEMBL7086761 0.92 PDPK1 (0.45) PDPK1KDRAKT1AKT2BRD4
SCHEMBL7089576 0.90 PDPK1 (0.45) PDPK1KDRLRRK2AKT1AKT2
SCHEMBL7082441 0.90 PDPK1 (0.45) PDPK1CA12CA1CA2CA9
SCHEMBL7082439 0.90 PDPK1 (0.45) PDPK1CA12CA1CA2CA9
SCHEMBL7086656 0.89 TMEM97 (0.42) PDPK1KDRLRRK2

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