SCHEMBL5818778

SCHEMBL5818778

CN1CCN(c2nc(-c3ccccc3F)c(-c3ccnc(NC4CCCCC4)n3)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
CDK1 P06493 7/20 0.46
CCNB1 P14635 7/20 0.46
CDK4 P11802 6/20 0.46
CCND1 P24385 6/20 0.46
CCNA2 P20248 4/20 0.46
CDK2 P24941 4/20 0.46
CCND3 P30281 4/20 0.46
CDK6 Q00534 4/20 0.46
CCNT1 O60563 3/20 0.46
CDK7 P50613 3/20 0.46
CDK9 P50750 3/20 0.46
CCNH P51946 3/20 0.46
CCNB2 O95067 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
IKBKB O14920 1/20 0.41
RET P07949 1/20 0.41
EGFR P00533 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 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
SCHEMBL5817256 0.99 HRH4 (0.51) HRH4CDK1CCNB1CDK4CCND1
SCHEMBL5814947 0.95 HRH4 (0.45) HRH4CDK1CCNB1CDK4CCND1
SCHEMBL5812777 0.93 KCNH2 (0.45) HRH4CDK1CCNB1CDK4CCND1
SCHEMBL5815424 0.93 KCNH2 (0.45) HRH4CDK1CCNB1CDK4CCND1
SCHEMBL5818639 0.91 CDK1 (0.42) HRH4CDK1CCNB1CDK4CCND1
SCHEMBL5813579 0.90 HRH4 (0.42) HRH4CDK1CCNB1CDK4CCND1
SCHEMBL5813694 0.90 KCNH2 (0.45) CDK1CCNB1CDK4CCND1CCNA2
SCHEMBL5814648 0.90 KCNH2 (0.50) CDK1CCNB1CDK4CCND1CCNA2
SCHEMBL5813653 0.89 KCNH2 (0.51) CDK1CCNB1CDK4CCND1CCNA2
SCHEMBL5812995 0.86 KCNH2 (0.39) HRH4CDK1CCNB1CDK4CDK2

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 disclosed