SCHEMBL5819607

SCHEMBL5819607

CCOC(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccccc4)n3)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.59
EGFR P00533 7/20 0.52
MAPK14 Q16539 1/20 0.49

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
SCHEMBL5815854 0.90 EGFR (0.62) KCNH2EGFR
SCHEMBL5819551 0.89 KCNH2 (0.58) KCNH2EGFR
SCHEMBL5819446 0.89 EGFR (0.51) KCNH2EGFRMAPK14
SCHEMBL5816278 0.88 EGFR (0.54) KCNH2EGFR
SCHEMBL5818153 0.87 EGFR (0.57) KCNH2EGFRMAPK14
SCHEMBL6220155 0.87 EGFR (0.57) KCNH2EGFRMAPK14
SCHEMBL6220153 0.87 EGFR (0.57) KCNH2EGFRMAPK14
SCHEMBL5819627 0.87 EGFR (0.54) KCNH2EGFRMAPK14
SCHEMBL5819187 0.86 EGFR (0.53) KCNH2EGFR
SCHEMBL5819594 0.85 EGFR (0.52) KCNH2EGFR

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