SCHEMBL8469866

SCHEMBL8469866

Cn1cc(-c2cn(C)c3ncc(Sc4ccccc4)cc23)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
PIM1 P11309 3/20 0.40
GRM2 Q14416 1/20 0.40
METAP2 P50579 1/20 0.39
MET P08581 4/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
CREBBP Q92793 2/20 0.38
ALK Q9UM73 2/20 0.37
AXL P30530 2/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL13505038 0.82 PDPK1 (0.45) BRD4GRM2
SCHEMBL3348835 0.79 BRD4 (0.38) BRD4GRM2METALOX5APFEN1
SCHEMBL3354820 0.79 ALK (0.60) ALKAXL
SCHEMBL8481417 0.78 BRD4 (0.50) BRD4PIM1GRM2METAP2ALOX5AP
SCHEMBL4403657 0.76 BRD4 (0.49) BRD4PIM1ALOX5APFEN1CREBBP
SCHEMBL16374539 0.71 TYRO3 (0.41) BRD4CREBBPAXL
SCHEMBL13505488 0.71
SCHEMBL8445021 0.70 BRD4 (0.43) BRD4PIM1GRM2CREBBPSMARCA2
SCHEMBL8445036 0.69 MAPK8 (0.39)
SCHEMBL8442728 0.68 ALK (0.61) ALK

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-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed