SCHEMBL5819620

SCHEMBL5819620

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 4/20 0.59
EGFR P00533 2/20 0.59
RAF1 P04049 2/20 0.59
ERBB2 P04626 1/20 0.59
SRC P12931 1/20 0.59
KDR P35968 1/20 0.59
MAPK8 P45983 1/20 0.59
CAMK2D Q13557 1/20 0.51
MAPK13 O15264 6/20 0.48
MAPK12 P53778 6/20 0.48
MAPK11 Q15759 6/20 0.48
MAPK14 Q16539 6/20 0.48
KCNH2 Q12809 2/20 0.47

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 0.91 MAPK9 (0.65) MAPK9EGFRRAF1ERBB2SRC
SCHEMBL5818665 0.91 MAPK9 (0.59) MAPK9EGFRRAF1ERBB2SRC
SCHEMBL5818421 0.89 MAPK13 (0.56) MAPK9RAF1CAMK2DMAPK13MAPK12
SCHEMBL5819635 0.89 MAPK13 (0.62) MAPK9EGFRRAF1ERBB2SRC
SCHEMBL5819401 0.87 MAPK9 (0.46) MAPK9EGFRRAF1ERBB2SRC
SCHEMBL6488017 0.87 EGFR (0.76) MAPK9EGFRRAF1ERBB2SRC
SCHEMBL6488022 0.87 EGFR (0.76) MAPK9EGFRRAF1ERBB2SRC
SCHEMBL5818972 0.85 EGFR (0.64) MAPK9EGFRRAF1ERBB2SRC
SCHEMBL5819183 0.85 MAPK14 (0.54) MAPK9EGFRRAF1ERBB2SRC
SCHEMBL5814019 0.83 EGFR (0.59) MAPK9EGFRRAF1ERBB2SRC

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