SCHEMBL3383259

SCHEMBL3383259

O=C(Nc1ccc(-c2ccc3c(C(=O)O)n[nH]c3c2)cc1)c1csc(-c2ccncc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 2/20 0.54
ROCK1 Q13464 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
ROCK2 O75116 2/20 0.48
IDE P14735 1/20 0.48
MAPK10 P53779 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
HPGD P15428 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3381933 0.87 MAPT (0.51) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL3385649 0.81 NPC1 (0.50) MAPTMEN1KMT2AL3MBTL1HPGD
SCHEMBL3386126 0.79 PTGDR2 (0.43) ITKGSK3B
SCHEMBL3380466 0.77 PAK1 (0.47) KMT2AROCK1ROCK2ALDH1A1ITK
SCHEMBL6628193 0.75 TDP1 (0.86) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL3386831 0.75 NPC1 (0.54) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL3386038 0.74 DYRK1A (0.48) ITK
SCHEMBL15878220 0.73 ROCK1 (0.88) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL3385551 0.73 SGK1 (0.47) MAPTMEN1KMT2AMAPK1ROCK2
SCHEMBL3384011 0.73 HDAC1 (0.51) MAPTLMNAMEN1KMT2ANPSR1

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
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO claimed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO disclosed