SCHEMBL7086305

SCHEMBL7086305

Nc1ccc2c(c1)/C(=C(/Nc1ccncc1)c1ccccc1)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
PDPK1 O15530 6/20 0.45
JAK2 O60674 2/20 0.41
TYK2 P29597 2/20 0.41
TLK2 Q86UE8 3/20 0.38
POLB P06746 2/20 0.38
AKT2 P31751 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
EPHX1 P07099 1/20 0.36
BCHE P06276 1/20 0.36
RET P07949 1/20 0.36
FLT3 P36888 1/20 0.36
ALK Q9UM73 1/20 0.36
AKT1 P31749 1/20 0.35

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
SCHEMBL7086310 1.00 BACE1 (0.45) BACE1PDPK1JAK2TYK2TLK2
SCHEMBL7086762 0.92 PDPK1 (0.45) PDPK1TLK2AKT2KDRRET
SCHEMBL29643001 0.92 PDPK1 (0.45) PDPK1TLK2AKT2KDRRET
SCHEMBL7086761 0.92 PDPK1 (0.45) PDPK1TLK2AKT2KDRRET
SCHEMBL13247747 0.91 BACE1 (0.50) BACE1PDPK1JAK2TYK2POLB
SCHEMBL7082903 0.91 PDPK1 (0.47) PDPK1TLK2AKT2MAPTRET
SCHEMBL7082906 0.91 PDPK1 (0.47) PDPK1TLK2AKT2MAPTRET
SCHEMBL7086341 0.88 NAMPT (0.44) PDPK1AKT2
SCHEMBL7086337 0.88 NAMPT (0.44) PDPK1AKT2
SCHEMBL7089576 0.87 PDPK1 (0.45) PDPK1TLK2AKT2KDRFLT3

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-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed