SCHEMBL906852

SCHEMBL906852

c1ccc2c(-c3csnc3-c3ccncc3)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ALPL P05186 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
TTK P33981 1/20 0.56
MAPK10 P53779 1/20 0.56
MKNK1 Q9BUB5 1/20 0.52
LRRK2 Q5S007 5/20 0.51
MAP2K4 P45985 1/20 0.46
NAMPT P43490 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
AURKA O14965 1/20 0.43
MAPK1 P28482 4/20 0.43
IMPDH2 P12268 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK3 P27361 2/20 0.43

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
SCHEMBL10533662 0.86 IDO1 (0.74) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL906850 0.74 LRRK2 (0.66) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL30768403 0.73 ALDH1A1 (1.00) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL855531 0.73 ALDH1A1 (1.00) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL1672674 0.71 IDO1 (0.78) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL17178615 0.70 ALDH1A1 (0.92) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL9202922 0.70 IDO1 (0.58) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL6494488 0.70 IDO1 (0.58) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL906854 0.70 LRRK2 (0.50) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL11682161 0.69 MKNK1 (0.63) IDO1KDM4EALDH1A1ALPLGAA

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