SCHEMBL5819084

SCHEMBL5819084

OC1(c2nc(-c3cccc(Cl)c3)c(-c3ccnc(NC4CC4)n3)s2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
ADORA1 P30542 2/20 0.43
BRAF P15056 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
CAMK2D Q13557 1/20 0.38
MAPK1 P28482 4/20 0.37
CDK2 P24941 4/20 0.37
CCNA2 P20248 3/20 0.37
MAPK3 P27361 3/20 0.37
CDK4 P11802 1/20 0.37
PLK1 P53350 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL5813597 0.97 ADORA1 (0.46) IKBKBADORA1BRAFHDAC8HDAC6
SCHEMBL5818029 0.96 ADORA1 (0.45) IKBKBADORA1BRAFHDAC8HDAC6
SCHEMBL5818791 0.90 BRAF (0.43) IKBKBBRAFMAPK8MAPK1CDK2
SCHEMBL5815121 0.90 BRAF (0.50) IKBKBBRAFMAPK8MAPK9MAPK1
SCHEMBL5817991 0.88 IKBKB (0.48) IKBKBADORA1BRAFHDAC8HDAC6
SCHEMBL5814699 0.87 CSNK1A1 (0.49) BRAFMAPK9MAPK1CDK2CCNA2
SCHEMBL5814974 0.86 BRAF (0.47) IKBKBBRAFMAPK8MAPK9
SCHEMBL5813948 0.86 MAPK14 (0.46) IKBKBBRAFMAPK8MAPK9MAPK10
SCHEMBL5814640 0.86 BRAF (0.47) IKBKBBRAFMAPK8MAPK9MAPK10
SCHEMBL5817822 0.86 MAPK14 (0.46) IKBKBBRAFMAPK8MAPK9MAPK10

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