SCHEMBL5814546

SCHEMBL5814546

Cc1cccc(-c2nc(N3CCNCC3)sc2-c2ccnc(NC3CCCCC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
MAPK14 Q16539 2/20 0.49
CDK4 P11802 5/20 0.47
CCND1 P24385 5/20 0.47
CCNT1 O60563 5/20 0.47
CDK7 P50613 5/20 0.47
CDK9 P50750 5/20 0.47
CCNH P51946 5/20 0.47
CCND3 P30281 3/20 0.47
CDK6 Q00534 3/20 0.47
CDK1 P06493 7/20 0.46
CDK2 P24941 7/20 0.46
CCNB1 P14635 6/20 0.46
CCNA2 P20248 6/20 0.46
CCNA1 P78396 4/20 0.43
PRKCD Q05655 2/20 0.42
PRKD2 Q9BZL6 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
MAPK13 O15264 1/20 0.42

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
SCHEMBL5817136 0.99 KCNH2 (0.49) KCNH2MAPK14CDK4CCND1CCNT1
SCHEMBL5814087 0.96 KCNH2 (0.49) KCNH2MAPK14CDK4CCND1CCNT1
SCHEMBL5819465 0.93 MAPK14 (0.51) KCNH2MAPK14CDK4CCND1CCND3
SCHEMBL5815400 0.91 MAPK14 (0.49) KCNH2MAPK14CDK4CCND1CCNT1
SCHEMBL5814835 0.90 MAPK14 (0.48) KCNH2MAPK14CDK4CCND1CCND3
SCHEMBL5813770 0.90 KCNH2 (0.49) KCNH2MAPK14CDK4CCND1CCNT1
SCHEMBL5817861 0.90 MAPK14 (0.50) KCNH2MAPK14CDK4CCND1CCNT1
SCHEMBL5812160 0.89 KCNH2 (0.55) KCNH2CDK4CCND1CCNT1CDK7
SCHEMBL5817756 0.89 KCNH2 (0.49) KCNH2MAPK14CDK4CCND1CCNT1
SCHEMBL5819878 0.88 PRKD1 (0.49) KCNH2MAPK14CDK4CCND1CCNT1

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