SCHEMBL5818779

SCHEMBL5818779

CN1CCC(O)(c2nc(-c3cccc(F)c3)c(-c3ccnc(NC4CCCC4)n3)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.48
BRAF P15056 1/20 0.48
IKBKB O14920 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CCNT1 O60563 2/20 0.40
CDK1 P06493 2/20 0.40
CDK4 P11802 2/20 0.40
CCNB1 P14635 2/20 0.40
CCND1 P24385 2/20 0.40
CCND3 P30281 2/20 0.40
CDK7 P50613 2/20 0.40
CDK9 P50750 2/20 0.40
CCNH P51946 2/20 0.40
CDK6 Q00534 2/20 0.40
KCNH2 Q12809 1/20 0.39
CCNA1 P78396 1/20 0.38
MAPK14 Q16539 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
SCHEMBL5819379 0.99 MAPK9 (0.48) MAPK9BRAFIKBKBHRH4CCNA2
SCHEMBL5819235 0.97 BRAF (0.51) MAPK9BRAFIKBKBCCNA2CDK2
SCHEMBL5812748 0.91 MAPK9 (0.51) MAPK9BRAFIKBKBHRH4CCNA2
SCHEMBL5812484 0.90 MAPK9 (0.47) MAPK9BRAFIKBKBHRH4CCNA2
SCHEMBL5819777 0.90 MAPK9 (0.50) MAPK9BRAFIKBKBHRH4CCNA2
SCHEMBL5818943 0.90 KCNH2 (0.46) IKBKBKCNH2MAPK14
SCHEMBL5817940 0.90 MAPK9 (0.61) MAPK9BRAFIKBKBHRH4CCNA2
SCHEMBL5818423 0.90 MAPK9 (0.46) MAPK9BRAFIKBKBHRH4CCNA2
SCHEMBL5818443 0.89 KCNH2 (0.45) IKBKBKCNH2MAPK14
SCHEMBL5819246 0.89 MAPK9 (0.60) MAPK9BRAFCCNA2CDK2CCNT1

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 claimed