SCHEMBL5812949

SCHEMBL5812949

FC(F)(F)c1cccc(-c2nc(N3CCCCC3)sc2-c2ccnc(NC3CCCCC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
MAPK14 Q16539 2/20 0.46
MAPK9 P45984 1/20 0.45
CTSC P53634 1/20 0.44
KCNH2 Q12809 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MAPK10 P53779 1/20 0.42
BRAF P15056 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
RPS6KA3 P51812 1/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCND3 P30281 2/20 0.41
CDK6 Q00534 2/20 0.41
PRKD1 Q15139 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40

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
SCHEMBL5818977 0.93 MAPK9 (0.50) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5819878 0.93 PRKD1 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5816128 0.93 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5813677 0.93 KCNH2 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5818802 0.93 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5815108 0.89 KCNH2 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5818729 0.89 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5818908 0.89 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5812981 0.89 BRAF (0.50) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5813428 0.89 BRAF (0.50) MAPK13MAPK12MAPK11MAPK14KCNH2

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 1 patent. 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