SCHEMBL5819635

SCHEMBL5819635

C[C@H](Nc1nccc(-c2sc(C3CCN(C)CC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 15/20 0.62
MAPK12 P53778 15/20 0.62
MAPK11 Q15759 15/20 0.62
MAPK14 Q16539 15/20 0.62
MAPK9 P45984 7/20 0.60
RAF1 P04049 4/20 0.58
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
SRC P12931 1/20 0.58
KDR P35968 1/20 0.58
MAPK8 P45983 1/20 0.58

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
SCHEMBL5816218 0.90 MAPK9 (0.65) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5819620 0.89 MAPK9 (0.59) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5818665 0.88 MAPK9 (0.59) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5819443 0.87 MAPK14 (0.52) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5817836 0.86 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6488017 0.86 EGFR (0.76) MAPK9RAF1EGFRERBB2SRC
SCHEMBL6488022 0.86 EGFR (0.76) MAPK9RAF1EGFRERBB2SRC
SCHEMBL5816969 0.86 KCNH2 (0.50) MAPK14MAPK9EGFR
SCHEMBL5819173 0.84 MAPK9 (0.51) MAPK9EGFR
SCHEMBL6171143 0.84 MAPK14 (0.84) MAPK13MAPK12MAPK11MAPK14MAPK9

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