SCHEMBL5814947

SCHEMBL5814947

CN1CCN(c2nc(-c3ccccc3F)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
IKBKB O14920 3/20 0.43
RET P07949 1/20 0.43
CDK2 P24941 4/20 0.42
CDK1 P06493 3/20 0.42
CDK4 P11802 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNA2 P20248 3/20 0.42
CCND1 P24385 3/20 0.42
CCNT1 O60563 2/20 0.42
CCND3 P30281 2/20 0.42
CDK7 P50613 2/20 0.42
CDK9 P50750 2/20 0.42
CCNH P51946 2/20 0.42
CDK6 Q00534 2/20 0.42
KCNH2 Q12809 3/20 0.41
CCNA1 P78396 1/20 0.41
CCNE1 P24864 1/20 0.39
MAPK8 P45983 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL5817256 0.96 HRH4 (0.51) HRH4IKBKBRETCDK2CDK1
SCHEMBL5818778 0.95 HRH4 (0.50) HRH4IKBKBRETCDK2CDK1
SCHEMBL5812995 0.91 KCNH2 (0.39) HRH4IKBKBRETCDK2CDK1
SCHEMBL5813694 0.91 KCNH2 (0.45) CDK2CDK1CDK4CCNB1CCNA2
SCHEMBL5818808 0.89 KCNH2 (0.50) IKBKBCDK2CDK1CDK4CCNB1
SCHEMBL5812777 0.88 KCNH2 (0.45) HRH4RETCDK2CDK1CDK4
SCHEMBL5815424 0.88 KCNH2 (0.45) HRH4RETCDK2CDK1CDK4
SCHEMBL5813579 0.87 HRH4 (0.42) HRH4RETCDK2CDK1CDK4
SCHEMBL5818639 0.86 CDK1 (0.42) HRH4RETCDK2CDK1CDK4
SCHEMBL5813653 0.85 KCNH2 (0.51) IKBKBRETCDK2CDK1CDK4

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