SCHEMBL5765041

SCHEMBL5765041

Clc1ccc(Sc2ccc3nnc(-c4ccc(Cl)cc4)n3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK14 Q16539 14/20 0.46
TSHR P16473 1/20 0.44
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL5764608 0.93 KMT2A (0.54) KDM4EKMT2AHSD17B10MAPK14LRRK2
SCHEMBL5766791 0.83 MAPK14 (0.47) KDM4EHSD17B10MAPK14LRRK2
SCHEMBL5765439 0.82 MAPK14 (0.40) KDM4EKMT2AHSD17B10MAPK14LRRK2
SCHEMBL5767477 0.81 HSD11B1 (0.43) KDM4EKMT2AHSD17B10MAPK14LRRK2
SCHEMBL5767610 0.76 MAPK14 (0.70) MAPK14
SCHEMBL5764833 0.75 MAPK14 (0.50) KDM4EMAPK14LRRK2ALDH1A1HSD11B1
SCHEMBL5764736 0.74 HSD11B1 (0.44) MAPK14LRRK2ALDH1A1HPGDHSD11B1
SCHEMBL5765435 0.73 MAPK14 (0.48) KDM4EMAPK14LRRK2ALDH1A1HSD11B1
SCHEMBL5763436 0.73 MAPK14 (0.48) MAPK14LRRK2HSD11B1
SCHEMBL5766110 0.73 MAPK14 (0.47) KDM4EKMT2AHSD17B10MAPK14TSHR

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