SCHEMBL8206970

SCHEMBL8206970

C[N+](C)(C)Cc1n[nH]c2cc(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 16/20 0.47
MAP2K7 O14733 2/20 0.43
MAPK1 P28482 2/20 0.41
MAPK6 Q16659 2/20 0.41
ITK Q08881 2/20 0.41
HTR2A P28223 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40

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
SCHEMBL5677771 0.81 MAP2K4 (0.51) MAP2K4MAP2K7MAPK1MAPK6ITK
SCHEMBL5953156 0.78 MAP2K4 (0.51) MAP2K4MAP2K7MAPK1MAPK6ITK
SCHEMBL19570332 0.78 MAP2K4 (0.51) MAP2K4MAP2K7MAPK1MAPK6ITK
SCHEMBL8212290 0.76 KDM4E (0.47)
SCHEMBL7713988 0.75 MAP2K4 (0.49) MAP2K4MAP2K7MAPK1MAPK6ITK
Iodide SCHEMBL1595770 0.75 KDM4E (0.46)
SCHEMBL19570331 0.74 MAP2K4 (0.47) MAP2K4MAP2K7MAPK1MAPK6ITK
SCHEMBL30982343 0.73 MAP2K4 (0.46) MAP2K4MAP2K7MAPK1MAPK6ITK
SCHEMBL5635008 0.73 MAP2K4 (0.46) MAP2K4MAP2K7MAPK1MAPK6ITK
SCHEMBL14979221 0.73 MAP2K4 (0.54) MAP2K4MAP2K7MAPK1MAPK6ITK

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
WO-2008040995-A9 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LTD (GB) 2008-12-31 WO disclosed
WO-2008040995-A1 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 WO disclosed