SCHEMBL20217416

SCHEMBL20217416

COc1ccccc1C(C(=O)Nc1ccc(N)c(C(=N)c2ccc(OC3CCN(C)CC3)cc2)c1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
MCHR1 Q99705 1/20 0.41
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
F10 P00742 2/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PRSS3 P35030 1/20 0.38
NAMPT P43490 4/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PLAU P00749 3/20 0.37
PLG P00747 2/20 0.37
PLAT P00750 2/20 0.37
KLKB1 P03952 2/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37

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
SCHEMBL20217530 0.91 KDR (0.40) KDRF2PRSS1F10PRSS2
SCHEMBL20217431 0.86 KDR (0.41) KDRF2PRSS1F10PRSS2
SCHEMBL20217430 0.81 F10 (0.42) KDRF2PRSS1F10PRSS2
SCHEMBL20217286 0.81 CYP3A4 (0.41) KDRF2PRSS1F10PRSS2
SCHEMBL20217215 0.80 HTR1E (0.43) KMT2AMEN1LMNAHTR1EHTT
SCHEMBL20217405 0.78 MAPT (0.44) KDRF10PDE4APDE4BPDE4C
SCHEMBL14873449 0.77 DYRK1A (0.49) NAMPTCLK2CLK3DYRK1A
SCHEMBL20217594 0.76 F10 (0.43) KDRF2PRSS1F10PRSS2
SCHEMBL20217257 0.76 F10 (0.41) KDRF2PRSS1F10PRSS2
SCHEMBL20217239 0.76 F10 (0.41) KDRF2PRSS1F10PRSS2

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed