SCHEMBL16199768

SCHEMBL16199768

CCOc1cc2[nH]c(Nc3cc(CN(N)C(=O)C(C)(C)C)ccc3C(F)(F)F)nc2cc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.37
BRAF P15056 1/20 0.37
MAPK8 P45983 2/20 0.36
MAPK10 P53779 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDR P35968 2/20 0.34
ABL1 P00519 1/20 0.34
ROCK2 O75116 3/20 0.34
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
F10 P00742 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
TEK Q02763 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
SCHEMBL16199750 0.78 PTGES (0.47)
SCHEMBL16199747 0.73 RAF1 (0.37) RAF1BRAFMAPK8MAPK10ALDH1A1
SCHEMBL13190115 0.72 RAF1 (0.36) RAF1BRAFMAPK8MAPK10ABL1
SCHEMBL3101779 0.65 PTGES (0.46) RAF1
SCHEMBL3101769 0.65 PTGES (0.46) RAF1
SCHEMBL3109624 0.65 PTGES (0.67)
SCHEMBL3109637 0.65 PTGES (0.67)
SCHEMBL3703312 0.63 PTGES (0.48) RAF1BRAFMAPK10
SCHEMBL3101915 0.62 PTGES (0.47) RAF1
SCHEMBL2929849 0.62 RAF1 (0.51) RAF1BRAFALDH1A1ABL1

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