SCHEMBL5814974

SCHEMBL5814974

OC1(c2nc(-c3cccc(F)c3)c(-c3ccnc(NC4CCCC4)n3)s2)CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.47
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ERBB2 P04626 1/20 0.43
KDR P35968 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
KCNH2 Q12809 5/20 0.40
MAPKAPK2 P49137 1/20 0.39
ACHE P22303 1/20 0.39
IKBKB O14920 1/20 0.39
FYN P06241 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL5814640 0.99 BRAF (0.47) BRAFEGFRRAF1ERBB2KDR
SCHEMBL5815121 0.97 BRAF (0.50) BRAFEGFRRAF1ERBB2KDR
SCHEMBL5813597 0.90 ADORA1 (0.46) BRAFEGFRRAF1ERBB2KDR
SCHEMBL5813948 0.90 MAPK14 (0.46) BRAFEGFRRAF1ERBB2KDR
SCHEMBL5818906 0.90 MAPK8 (0.51) EGFRRAF1ERBB2KDRMAPK8
SCHEMBL5819553 0.90 MAPK9 (0.48) BRAFRAF1MAPK9KCNH2
SCHEMBL5817822 0.89 MAPK14 (0.46) BRAFEGFRRAF1ERBB2KDR
SCHEMBL5818029 0.89 ADORA1 (0.45) BRAFEGFRRAF1ERBB2KDR
SCHEMBL5819550 0.89 MAPK9 (0.47) BRAFEGFRRAF1ERBB2KDR
SCHEMBL5818779 0.89 MAPK9 (0.48) BRAFMAPK9KCNH2IKBKB

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