SCHEMBL5814019

SCHEMBL5814019

C[C@H](Nc1nccc(-c2sc(C3CCN(C)CC3)nc2-c2ccccc2F)n1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.59
RAF1 P04049 1/20 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
MAPK9 P45984 1/20 0.59
KCNH2 Q12809 3/20 0.47
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL5824185 0.89 MAPK13 (0.51) RAF1MAPK9KCNH2MAPK14MAPK13
SCHEMBL6488017 0.88 EGFR (0.76) EGFRRAF1ERBB2SRCKDR
SCHEMBL6488022 0.88 EGFR (0.76) EGFRRAF1ERBB2SRCKDR
SCHEMBL5814889 0.86 EGFR (0.45) EGFRRAF1ERBB2SRCKDR
SCHEMBL5816218 0.86 MAPK9 (0.65) EGFRRAF1ERBB2SRCKDR
SCHEMBL5818526 0.85 KCNH2 (0.50) EGFRRAF1ERBB2SRCKDR
SCHEMBL5813737 0.83 KCNH2 (0.49) EGFRRAF1ERBB2SRCKDR
SCHEMBL5818972 0.83 EGFR (0.64) EGFRRAF1ERBB2SRCKDR
SCHEMBL5819620 0.83 MAPK9 (0.59) EGFRRAF1ERBB2SRCKDR
SCHEMBL5815021 0.83 KCNH2 (0.48) EGFRKCNH2

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