SCHEMBL16199747

SCHEMBL16199747

COc1cc2[nH]c(Nc3cc(CNC(=O)C4(O)CC4)ccc3C(F)(F)F)nc2cc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
GSK3B P49841 5/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
BRAF P15056 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
IDH1 O75874 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ABL1 P00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3226021 0.86 PTGES (0.46)
SCHEMBL3226029 0.86 PTGES (0.46)
SCHEMBL13190115 0.85 RAF1 (0.36) RAF1AURKAAURKBGSK3BMAPK8
SCHEMBL16199750 0.79 PTGES (0.47)
SCHEMBL3101042 0.78 PTGES (0.45)
SCHEMBL3101035 0.78 PTGES (0.45)
SCHEMBL13190103 0.77 TRPV1 (0.33) RAF1AURKAAURKBBRAF
SCHEMBL3093989 0.75 PTGES (0.46) RAF1
SCHEMBL3101915 0.74 PTGES (0.47) RAF1
SCHEMBL3101779 0.73 PTGES (0.46) RAF1

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-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed