SCHEMBL5765799

SCHEMBL5765799

c1ccc(Sc2ccc3nnc(C4CCC4)n3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
TNK2 Q07912 1/20 0.44
LRRK2 Q5S007 2/20 0.39
GRM2 Q14416 1/20 0.36
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5765435 0.88 MAPK14 (0.48) MAPK14TNK2LRRK2GRM2
SCHEMBL5763436 0.85 MAPK14 (0.48) MAPK14LRRK2GRM2
SCHEMBL5764833 0.82 MAPK14 (0.50) MAPK14LRRK2GRM2
SCHEMBL5764665 0.80 MAPK14 (0.48) MAPK14RAB9ANPSR1
SCHEMBL5766791 0.72 MAPK14 (0.47) MAPK14LRRK2
SCHEMBL5765684 0.70 MAPK14 (0.49) MAPK14RAB9ANPC1
SCHEMBL4823102 0.70 MAPK14 (0.59) MAPK14
SCHEMBL15007180 0.69 MAPK14 (0.60) MAPK14GRM2
SCHEMBL5772879 0.69 MAPK14 (1.00) MAPK14
SCHEMBL25528705 0.68 GRM2 (0.55) MAPK14GRM2RAB9ANPC1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
EP-1601672-B1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2006-07-26 EP disclosed