SCHEMBL5812100

SCHEMBL5812100

CN1CCC(c2nc(-c3cccc(F)c3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.55
BRAF P15056 1/20 0.53
EGFR P00533 4/20 0.53
RAF1 P04049 1/20 0.49
ERBB2 P04626 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
IKBKB O14920 1/20 0.48

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
SCHEMBL5817294 0.96 KCNH2 (0.53) KCNH2BRAFEGFRRAF1ERBB2
SCHEMBL5816759 0.96 KCNH2 (0.53) KCNH2BRAFEGFRRAF1ERBB2
SCHEMBL5818273 0.89 IKBKB (0.56) KCNH2BRAFEGFRMAPK8IKBKB
SCHEMBL5812181 0.89 KCNH2 (0.67) KCNH2EGFR
SCHEMBL5816969 0.89 KCNH2 (0.50) KCNH2EGFRMAPK9IKBKB
SCHEMBL5817342 0.87 KCNH2 (0.59) KCNH2
SCHEMBL5817588 0.86 IKBKB (0.54) KCNH2EGFRMAPK8IKBKB
SCHEMBL5811623 0.86 MAPK14 (0.51) KCNH2EGFRIKBKB
SCHEMBL5818597 0.86 BRAF (0.53) KCNH2BRAFEGFRIKBKB
SCHEMBL5819173 0.85 MAPK9 (0.51) KCNH2EGFRMAPK9IKBKB

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