SCHEMBL9900204

SCHEMBL9900204

CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(N)=O)c(N4CCC(F)CC4)nc3n2C[C@H]2CC[C@H](C(F)(F)F)CC2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.57

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
SCHEMBL14233332 0.84 PTGES (0.69) PTGES
SCHEMBL674936 0.83 PTGES (0.69) PTGES
SCHEMBL14118762 0.83 PTGES (0.76) PTGES
SCHEMBL9942009 0.83 PTGES (0.76) PTGES
SCHEMBL9900308 0.81 PTGES (0.68) PTGES
SCHEMBL9942004 0.81 PTGES (0.79) PTGES
SCHEMBL14233329 0.81 PTGES (0.79) PTGES
SCHEMBL14233869 0.80 PTGES (0.68) PTGES
SCHEMBL14233333 0.80 PTGES (0.68) PTGES
SCHEMBL14119005 0.80 PTGES (0.79) PTGES

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-2649071-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed