SCHEMBL15241762

SCHEMBL15241762

Ic1cnc2[nH]cc(I)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
MAPK1 P28482 1/20 0.43
AXL P30530 1/20 0.40
CDK8 P49336 1/20 0.40
TNIK Q9UKE5 1/20 0.40
DYRK1A Q13627 3/20 0.38
JAK2 O60674 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38
CDK1 P06493 1/20 0.38
FES P07332 1/20 0.38
IGF1R P08069 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
PHKG2 P15735 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
SCHEMBL1045946 0.80 BRD4 (0.54) BRD4MAPK1AXLCDK8TNIK
SCHEMBL7912970 0.80 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK
SCHEMBL68662 0.80 DYRK1A (0.58) BRD4MAPK1AXLCDK8TNIK
SCHEMBL1880862 0.80 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK
SCHEMBL11968454 0.80 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK
SCHEMBL28408295 0.80 DYRK1A (0.44) AXLCDK8TNIKDYRK1AJAK2
SCHEMBL1053943 0.80 JAK2 (0.58) BRD4MAPK1AXLCDK8TNIK
SCHEMBL31228005 0.80 BRD4 (0.54) BRD4MAPK1AXLCDK8TNIK
SCHEMBL20292802 0.76 AXL (0.45) BRD4MAPK1AXLCDK8TNIK
SCHEMBL19787915 0.76 BRD4 (0.47) BRD4MAPK1AXLCDK8TNIK

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-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed