SCHEMBL5817205

SCHEMBL5817205

CCOC(=O)N1CCC(c2nc(-c3cccc(Cl)c3)c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 5/20 0.45
RAF1 P04049 3/20 0.45
EGFR P00533 2/20 0.45
ERBB2 P04626 1/20 0.45
SRC P12931 1/20 0.45
KDR P35968 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK14 Q16539 7/20 0.44
DGAT1 O75907 1/20 0.42
KCNH2 Q12809 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MAPK13 O15264 5/20 0.40
MAPK12 P53778 5/20 0.40
MAPK11 Q15759 5/20 0.40
MAPT P10636 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
SCHEMBL5819401 0.93 MAPK9 (0.46) MAPK9RAF1EGFRERBB2SRC
SCHEMBL5819312 0.92 EGFR (0.50) MAPK9RAF1EGFRERBB2SRC
SCHEMBL5819443 0.90 MAPK14 (0.52) MAPK9RAF1EGFRERBB2SRC
SCHEMBL6220153 0.88 EGFR (0.57) MAPK9RAF1EGFRERBB2SRC
SCHEMBL5818153 0.88 EGFR (0.57) MAPK9RAF1EGFRERBB2SRC
SCHEMBL6220155 0.88 EGFR (0.57) MAPK9RAF1EGFRERBB2SRC
SCHEMBL5819343 0.87 EGFR (0.49) MAPK9RAF1EGFRERBB2SRC
SCHEMBL5815514 0.87 DGAT1 (0.53) MAPK9MAPK8MAPK14DGAT1KCNH2
SCHEMBL5818665 0.87 MAPK9 (0.59) MAPK9RAF1EGFRERBB2SRC
SCHEMBL5815323 0.86 DGAT1 (0.52) MAPK9MAPK8MAPK14DGAT1KCNH2

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