SCHEMBL5819618

SCHEMBL5819618

Cc1cccc(-c2nc(C3CCN(C)CC3)sc2-c2ccnc([C@@](C)(N)c3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
KCNH2 Q12809 3/20 0.43
RAF1 P04049 1/20 0.43
ERBB2 P04626 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL5818662 0.91 KCNH2 (0.44) EGFRKCNH2RAF1ERBB2SRC
SCHEMBL5819631 0.91 EGFR (0.44) EGFRKCNH2RAF1ERBB2SRC
SCHEMBL5816216 0.91 EGFR (0.48) EGFRKCNH2RAF1ERBB2SRC
SCHEMBL5818970 0.85 EGFR (0.47) EGFRKCNH2RAF1ERBB2SRC
SCHEMBL5814016 0.83 EGFR (0.43) EGFRKCNH2RAF1ERBB2SRC
SCHEMBL5819620 0.80 MAPK9 (0.59) EGFRKCNH2RAF1ERBB2SRC
SCHEMBL5813599 0.80 KCNH2 (0.51) KCNH2
SCHEMBL5820628 0.80 KCNH2 (0.46) KCNH2
SCHEMBL5811623 0.79 MAPK14 (0.51) EGFRKCNH2MAPK14
SCHEMBL5818629 0.75 KCNH2 (0.60) KCNH2

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