SCHEMBL14404116

SCHEMBL14404116

Bc1ccc2[nH]nc(N)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.60
PDPK1 O15530 3/20 0.60
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
TYK2 P29597 3/20 0.47
JAK3 P52333 3/20 0.47
JAK1 P23458 3/20 0.47
PRKD3 O94806 3/20 0.43
ROCK1 Q13464 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
CDC7 O00311 2/20 0.43
PLK4 O00444 2/20 0.43
DAPK3 O43293 2/20 0.43
DYRK3 O43781 2/20 0.43
ROCK2 O75116 2/20 0.43
MAP4K4 O95819 2/20 0.43
CDK1 P06493 2/20 0.43
ROS1 P08922 2/20 0.43
CDK2 P24941 2/20 0.43

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
SCHEMBL12292289 0.83 PDPK1 (0.60) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL10213929 0.78 JAK2 (0.81) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL118573 0.78 JAK2 (0.64) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL17680647 0.78 JAK2 (0.36) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL9909085 0.78 ADORA2A (0.46) JAK2PDPK1GSK3BNTRK1MAPK1
SCHEMBL18290033 0.78 JAK2 (0.36) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL14792020 0.77 PRKAG1 (0.56)
SCHEMBL24144678 0.75 JAK2 (0.60) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL6476445 0.75 JAK2 (0.60) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL10112094 0.75 JAK2 (0.60) JAK2PDPK1KDM4ECYP3A4GAA

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
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed