SCHEMBL5819447

SCHEMBL5819447

Clc1cccc(-c2nc(N3CCCCC3)sc2-c2ccnc(NC3CCCC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
CAMK2D Q13557 1/20 0.46
DGAT1 O75907 1/20 0.44
MAPK10 P53779 3/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 2/20 0.43
IKBKB O14920 2/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND3 P30281 1/20 0.42
CDK6 Q00534 1/20 0.42
EIF2AK2 P19525 1/20 0.42
BRAF P15056 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL5813731 1.00 ADORA1 (0.49) ADORA1CAMK2DDGAT1MAPK10KCNH2
SCHEMBL5823204 0.97 CAMK2D (0.47) ADORA1CAMK2DDGAT1MAPK10KCNH2
SCHEMBL5813770 0.93 KCNH2 (0.49) ADORA1CAMK2DDGAT1MAPK10KCNH2
SCHEMBL5817756 0.92 KCNH2 (0.49) ADORA1CAMK2DDGAT1MAPK10KCNH2
SCHEMBL5812981 0.89 BRAF (0.50) DGAT1MAPK10KCNH2CDK4CCND1
SCHEMBL5813428 0.89 BRAF (0.50) DGAT1MAPK10KCNH2CDK4CCND1
SCHEMBL5819465 0.89 MAPK14 (0.51) DGAT1MAPK10KCNH2CDK4CCND1
SCHEMBL5818496 0.88 KCNH2 (0.49) ADORA1CAMK2DKCNH2MAPK1IKBKB
SCHEMBL5812949 0.87 MAPK13 (0.46) MAPK10KCNH2MAPK1MAPK9CDK4
SCHEMBL5814835 0.86 MAPK14 (0.48) MAPK10KCNH2MAPK1IKBKBCDK4

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