SCHEMBL906850

SCHEMBL906850

c1ccc(-c2csnc2-c2n[nH]c3ccccc23)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.66
PIM1 P11309 4/20 0.46
IDO1 P14902 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK10 P53779 2/20 0.45
ALPL P05186 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TTK P33981 1/20 0.45
NTRK1 P04629 1/20 0.41
PIM2 Q9P1W9 2/20 0.40
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
AURKA O14965 1/20 0.38
ITK Q08881 1/20 0.38
MAP2K4 P45985 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38

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
SCHEMBL30316298 0.80 LRRK2 (1.00) LRRK2PIM1IDO1KDM4EALDH1A1
SCHEMBL1328336 0.80 LRRK2 (1.00) LRRK2PIM1IDO1KDM4EALDH1A1
SCHEMBL906852 0.74 IDO1 (0.56) LRRK2PIM1IDO1KDM4EALDH1A1
SCHEMBL5873123 0.74 LRRK2 (0.64) LRRK2PIM1IDO1KDM4EALDH1A1
SCHEMBL1672674 0.73 IDO1 (0.78) LRRK2IDO1KDM4EALDH1A1MAPK10
SCHEMBL11786969 0.72 LRRK2 (0.76) LRRK2PIM1IDO1KDM4EALDH1A1
SCHEMBL1287897 0.70 LRRK2 (0.68) LRRK2PIM1IDO1KDM4EALDH1A1
SCHEMBL10452107 0.69 LRRK2 (0.62) LRRK2IDO1KDM4EALDH1A1MAPK10
SCHEMBL9445892 0.67 KDM4E (0.46) KDM4EALDH1A1ALPLGAAHPGD
SCHEMBL28376527 0.67 LRRK2 (0.68) LRRK2PIM1IDO1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101959883-B 3-indazolyl-4-pyridylisothiazoles LILLY CO ELI 2013-01-30 CN disclosed
CN-101959883-B 3-indazolyl-4-pyridylisothiazoles LILLY CO ELI 2013-01-30 CN disclosed
EP-2276759-B1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES LILLY CO ELI (US) 2011-10-19 EP disclosed
US-7932274-B2 3-indazolyl-4-pyridylisothiazoles ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
EP-2276759-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES Eli Lilly & Company (US) 2011-01-26 EP disclosed
CN-101959883-A 3-indazolyl-4-pyridylisothiazoles LILLY CO ELI 2011-01-26 CN disclosed
WO-2009123855-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY (US) 2009-10-08 WO disclosed