SCHEMBL4554216

SCHEMBL4554216

CC1(C)OC[C@@H](CO)O1.CC1(C)OC[C@@H](COc2cc(Cl)nnc2Cl)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 2/20 0.41
KCNJ3 P48549 2/20 0.41
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
CA2 P00918 1/20 0.36
MAPK14 Q16539 7/20 0.34
F2RL3 Q96RI0 1/20 0.34
JAK2 O60674 2/20 0.34
NTRK1 P04629 2/20 0.34
P2RX3 P56373 1/20 0.32

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
SCHEMBL3149134 0.94 CA2 (0.40) KCNJ5KCNJ3CCNKCDK12CA2
SCHEMBL20839815 0.94 CA2 (0.40) KCNJ5KCNJ3CCNKCDK12CA2
SCHEMBL3146503 0.75 ALDH1A1 (0.44)
SCHEMBL3146505 0.75 ALDH1A1 (0.44)
SCHEMBL25131168 0.75 KCNJ5 (0.41) KCNJ5KCNJ3CCNKCDK12CA2
SCHEMBL23773793 0.73 CA2 (0.43) KCNJ5KCNJ3CCNKCDK12CA2
SCHEMBL11156125 0.73 CHRNB2 (0.43) KCNJ5KCNJ3CCNKCDK12CA2
SCHEMBL11547597 0.72 CA2 (0.42) KCNJ5KCNJ3CCNKCDK12CA2
SCHEMBL17768160 0.71 CA2 (0.41) KCNJ5KCNJ3CCNKCDK12CA2
SCHEMBL17767927 0.71 CA2 (0.41) KCNJ5KCNJ3CCNKCDK12CA2

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-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed