SCHEMBL5816366

SCHEMBL5816366

NNc1nc(-c2cccc(Cl)c2)c(-c2ccnc(F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.48
KDM1A O60341 1/20 0.43
TGFBR1 P36897 1/20 0.42
ADORA2A P29274 4/20 0.38
ADORA2B P29275 3/20 0.38
NQO2 P16083 1/20 0.38
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP4K4 O95819 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
SCHEMBL5813696 0.81 MAPK14 (0.60) MAPK14TGFBR1ADORA2AADORA2BNQO2
SCHEMBL3890057 0.79 MAPK14 (0.77) MAPK14MAP4K4
SCHEMBL3890102 0.75 MAPK14 (0.67) MAPK14MAP4K4
SCHEMBL3890143 0.71 MAPK14 (0.58) MAPK14TGFBR1ADORA2AADORA2BMAP4K4
SCHEMBL5823319 0.71 MAPK14 (0.40) MAPK14KDM1ATGFBR1KDM4EALDH1A1
SCHEMBL11754235 0.70 ADORA2A (0.47) MAPK14KDM1ATGFBR1ADORA2AADORA2B
SCHEMBL3896452 0.69 MAPK14 (0.70) MAPK14TGFBR1KDM4EMEN1ALDH1A1
SCHEMBL3896458 0.69 MAPK14 (0.50) MAPK14TGFBR1ADORA2AADORA2BMAP4K4
SCHEMBL4092218 0.69 ADORA2B (0.52) MAPK14ADORA2AADORA2BNQO2KDM4E
SCHEMBL5823314 0.69 MAPK14 (0.58) MAPK14KDM1AADORA2AADORA2BKDM4E

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-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed