SCHEMBL5813486

SCHEMBL5813486

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

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.50
MAPK14 Q16539 1/20 0.50
KCNH2 Q12809 2/20 0.45

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
SCHEMBL5816360 0.91 ALDH1A1 (0.43) EGFRMAPK14
SCHEMBL5816713 0.90 EGFR (0.41) EGFRMAPK14KCNH2
SCHEMBL5819178 0.89 EGFR (0.46) EGFRKCNH2
SCHEMBL5819552 0.88 MAPK14 (0.64) EGFRMAPK14KCNH2
SCHEMBL5813577 0.87 LMNA (0.41) MAPK14
SCHEMBL5819555 0.87 KMT2A (0.43) EGFRMAPK14
SCHEMBL5812026 0.86 EGFR (0.51) EGFRMAPK14
SCHEMBL5817944 0.86 MAPK14 (0.49) EGFRMAPK14KCNH2
SCHEMBL5813472 0.85 NOS1 (0.43) KCNH2
SCHEMBL5815240 0.85 MAPK14 (0.49) EGFRMAPK14KCNH2

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 disclosed