SCHEMBL5817756

SCHEMBL5817756

Clc1cccc(-c2nc(N3CCNCC3)sc2-c2ccnc(NC3CCCC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
CAMK2D Q13557 1/20 0.47
ADORA1 P30542 1/20 0.47
IKBKB O14920 3/20 0.46
CCNT1 O60563 3/20 0.44
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
CCND3 P30281 3/20 0.44
CDK7 P50613 3/20 0.44
CDK9 P50750 3/20 0.44
CCNH P51946 3/20 0.44
CDK6 Q00534 3/20 0.44
CDK1 P06493 3/20 0.43
CDK2 P24941 3/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43
MAPK8 P45983 4/20 0.42
MAPK9 P45984 3/20 0.42
MAPK10 P53779 3/20 0.42
PLK4 O00444 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
SCHEMBL5813770 0.99 KCNH2 (0.49) KCNH2CAMK2DADORA1IKBKBCCNT1
SCHEMBL5818496 0.96 KCNH2 (0.49) KCNH2CAMK2DADORA1IKBKBCCNT1
SCHEMBL5819447 0.92 ADORA1 (0.49) KCNH2CAMK2DADORA1IKBKBCDK4
SCHEMBL5813731 0.92 ADORA1 (0.49) KCNH2CAMK2DADORA1IKBKBCDK4
SCHEMBL5817136 0.90 KCNH2 (0.49) KCNH2IKBKBCCNT1CDK4CCND1
SCHEMBL5812160 0.90 KCNH2 (0.55) KCNH2CCNT1CDK4CCND1CCND3
SCHEMBL5823204 0.89 CAMK2D (0.47) KCNH2CAMK2DADORA1IKBKBCDK4
SCHEMBL5814546 0.89 KCNH2 (0.49) KCNH2CCNT1CDK4CCND1CCND3
SCHEMBL5813677 0.87 KCNH2 (0.49) KCNH2CCNT1CDK4CCND1CCND3
SCHEMBL5819878 0.87 PRKD1 (0.49) KCNH2CCNT1CDK4CCND1CCND3

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