SCHEMBL16611798

SCHEMBL16611798

CC(CNC(=O)O)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
AAK1 Q2M2I8 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
HIF1A Q16665 2/20 0.42
LIPG Q9Y5X9 3/20 0.41
LPL P06858 2/20 0.41
P4HB P07237 1/20 0.39
F2 P00734 1/20 0.38
F11 P03951 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 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
SCHEMBL2550198 0.80 LIPG (0.43) AAK1CA1CA2CA9LIPG
SCHEMBL15615744 0.79 LPL (0.49) AAK1CA1CA2CA9HIF1A
SCHEMBL31188697 0.78 CYP1A2 (0.51) AAK1CA1CA2CA9LIPG
SCHEMBL2553821 0.78 P4HB (0.42) AAK1CA1CA2CA9LIPG
SCHEMBL24467420 0.78 LPL (0.54) AAK1CA1CA2CA9HIF1A
SCHEMBL28334985 0.78 LPL (0.54) AAK1CA1CA2CA9HIF1A
SCHEMBL15189795 0.77 AAK1 (0.43) AAK1CA1CA2CA9HIF1A
SCHEMBL20424266 0.77 LPL (0.46) AAK1CA1CA2CA9HIF1A
SCHEMBL16468330 0.76 HIF1A (0.48) MTNR1AMTNR1BAAK1CA1CA2
SCHEMBL1561011 0.75 HIF1A (0.47) MTNR1AMTNR1BAAK1CA1CA2

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-2857404-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2015-04-08 EP disclosed