SCHEMBL5813696

SCHEMBL5813696

NCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(F)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.60
TGFBR1 P36897 1/20 0.42
DPP4 P27487 1/20 0.40
NQO2 P16083 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
IKBKB O14920 1/20 0.38
MAPK13 O15264 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FRK P42685 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 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
SCHEMBL3890057 0.88 MAPK14 (0.77) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL5816366 0.81 MAPK14 (0.48) MAPK14TGFBR1NQO2ADORA2AADORA2B
SCHEMBL3890883 0.78 MAPK14 (0.77) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL5817233 0.77 TGFBR1 (0.46) MAPK14TGFBR1DPP4MAPK13MAP4K4
SCHEMBL27481686 0.77 MAPK14 (0.55) MAPK14TGFBR1ADORA2BMAPK1
SCHEMBL3899165 0.76 MAPK14 (0.64) MAPK14TGFBR1
SCHEMBL3894094 0.76 MAPK14 (0.80) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3901366 0.75 MAPK14 (0.60) MAPK14TGFBR1IKBKBMAPK13PRKD3
SCHEMBL3891888 0.75 MAPK14 (1.00) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3889480 0.74 MAPK14 (0.56) MAPK14TGFBR1IKBKBMAPK13PRKD3

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