SCHEMBL5812181

SCHEMBL5812181

CN1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.67
EGFR P00533 3/20 0.64

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
SCHEMBL5817983 0.96 KCNH2 (0.65) KCNH2EGFR
SCHEMBL5819783 0.95 KCNH2 (0.64) KCNH2EGFR
SCHEMBL5813594 0.90 EGFR (0.61) KCNH2EGFR
SCHEMBL5818905 0.90 EGFR (0.63) KCNH2EGFR
SCHEMBL5812100 0.89 KCNH2 (0.55) KCNH2EGFR
SCHEMBL5815611 0.89 KCNH2 (0.54) KCNH2EGFR
SCHEMBL5812854 0.88 EGFR (0.57) KCNH2EGFR
SCHEMBL5818916 0.87 KCNH2 (0.55) KCNH2EGFR
SCHEMBL5817130 0.86 EGFR (0.54) KCNH2EGFR
SCHEMBL5819150 0.86 KCNH2 (0.72) KCNH2

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