SCHEMBL5814477

SCHEMBL5814477

CN1CCN(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55
EGFR P00533 8/20 0.52
IKBKB O14920 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
SCHEMBL5811823 0.96 KCNH2 (0.54) KCNH2EGFRIKBKB
SCHEMBL5814593 0.95 KCNH2 (0.53) KCNH2EGFRIKBKB
SCHEMBL5818695 0.90 KCNH2 (0.54) KCNH2EGFR
SCHEMBL5818597 0.89 BRAF (0.53) KCNH2EGFRIKBKB
SCHEMBL5813440 0.89 KMT2A (0.64) KCNH2EGFRIKBKB
SCHEMBL5817639 0.89 KCNH2 (0.68) KCNH2EGFR
SCHEMBL5818865 0.87 KCNH2 (0.61) KCNH2EGFR
SCHEMBL5813743 0.87 KCNH2 (0.61) KCNH2EGFR
SCHEMBL5815016 0.87 KCNH2 (0.54) KCNH2EGFR
SCHEMBL5818551 0.86 KCNH2 (0.53) 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