SCHEMBL3655261

SCHEMBL3655261

COc1cc(F)cc(Nc2nc(-c3ccnc(C)c3)n(CC[C@H](C)O)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.42
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ SYK P43405 3/20 0.35
▸ ZAP70 P43403 2/20 0.35
▸ MUSK O15146 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ ROS1 P08922 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FER P16591 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ EIF2AK2 P19525 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ HIPK1 Q86Z02 1/20 0.35
▸ MAP3K3 Q99759 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
SCHEMBL3655264 1.00 JAK2 (0.42) JAK2PIK3CAPIK3CGKDRFLT1
SCHEMBL3651526 0.90 SRC (0.37) JAK2PIK3CAPIK3CGKDRFLT1
SCHEMBL3651523 0.90 SRC (0.37) JAK2PIK3CAPIK3CGKDRFLT1
SCHEMBL3030096 0.87 JAK2 (0.42) JAK2PIK3CAPIK3CGKDRFLT1
SCHEMBL3030101 0.87 JAK2 (0.42) JAK2PIK3CAPIK3CGKDRFLT1
Hydrochloric Acid SCHEMBL3025959 0.86 JAK2 (0.41) JAK2PIK3CAPIK3CGKDRFLT1
SCHEMBL3656602 0.81 JAK2 (0.39) JAK2PDGFRACDK4CDK2GSK3B
SCHEMBL3658064 0.78 HDAC3 (0.42) JAK2KDRSYKZAP70PSEN1
SCHEMBL3026142 0.76 LMNA (0.35) JAK2SRC
SCHEMBL3026134 0.76 LMNA (0.35) JAK2SRC

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-2212309-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES Janssen Pharmaceutica N.V. (BE) 2010-08-04 — — EP claimed
WO-2009050186-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2009-04-23 — — WO claimed
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