SCHEMBL5812484

SCHEMBL5812484

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.47
IKBKB O14920 1/20 0.46
ADORA1 P30542 2/20 0.44
MAPK1 P28482 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK8 P45983 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
EIF2AK2 P19525 1/20 0.40
BRAF P15056 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
CDK7 P50613 1/20 0.40

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
SCHEMBL5818423 0.99 MAPK9 (0.46) MAPK9IKBKBADORA1MAPK1HDAC8
SCHEMBL5817991 0.97 IKBKB (0.48) MAPK9IKBKBADORA1MAPK1HDAC8
SCHEMBL5812748 0.91 MAPK9 (0.51) MAPK9IKBKBADORA1HRH4BRAF
SCHEMBL5818779 0.90 MAPK9 (0.48) MAPK9IKBKBKCNH2HRH4BRAF
SCHEMBL5819777 0.90 MAPK9 (0.50) MAPK9IKBKBHRH4BRAFCCNT1
SCHEMBL5819379 0.90 MAPK9 (0.48) MAPK9IKBKBKCNH2HRH4BRAF
SCHEMBL5813597 0.89 ADORA1 (0.46) MAPK9IKBKBADORA1MAPK1HDAC8
SCHEMBL5817940 0.88 MAPK9 (0.61) MAPK9IKBKBMAPK1KCNH2HRH4
SCHEMBL5818029 0.88 ADORA1 (0.45) MAPK9IKBKBADORA1MAPK1HDAC8
SCHEMBL5818011 0.88 MAPK9 (0.46) MAPK9IKBKBMAPK1MAPK8BRAF

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