SCHEMBL6983839

SCHEMBL6983839

CN(C)C(=O)c1ccc2c(c1)C(=C(Nc1ccccc1)c1ccccc1)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.47
RXFP1 Q9HBX9 1/20 0.38
FLT3 P36888 1/20 0.38
RAF1 P04049 1/20 0.38
PDPK1 O15530 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
PAK4 O96013 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CCNB1 P14635 1/20 0.37
CCR6 P51684 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
GSK3B P49841 3/20 0.37
KDR P35968 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
SCHEMBL6983833 1.00 JAK3 (0.47) JAK3RXFP1FLT3RAF1PDPK1
SCHEMBL6982836 0.93 JAK3 (0.44) JAK3RXFP1FLT3PDPK1AKT1
SCHEMBL7985455 0.93 JAK3 (0.44) JAK3RXFP1FLT3PDPK1AKT1
SCHEMBL6984575 0.90 JAK3 (0.42) JAK3RXFP1PDPK1PAK4CYP3A4
SCHEMBL6984569 0.90 JAK3 (0.42) JAK3RXFP1PDPK1PAK4CYP3A4
SCHEMBL7236082 0.90 JAK3 (0.48) JAK3RXFP1FLT3PDPK1AKT1
SCHEMBL7236087 0.90 JAK3 (0.48) JAK3RXFP1FLT3PDPK1AKT1
SCHEMBL6979863 0.89 ACHE (0.44) JAK3
SCHEMBL6979865 0.89 ACHE (0.44) JAK3
SCHEMBL7237420 0.88 PDPK1 (0.43) JAK3RXFP1FLT3PDPK1AKT1

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 1 patent. 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