SCHEMBL5817822

SCHEMBL5817822

Cc1cccc(-c2nc(C3(O)CCNCC3)sc2-c2ccnc(NC3CCCCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
CDK4 P11802 5/20 0.42
CCND1 P24385 5/20 0.42
CDK1 P06493 5/20 0.42
CDK2 P24941 4/20 0.42
CCNB1 P14635 4/20 0.42
CCNA2 P20248 3/20 0.42
CCNA1 P78396 2/20 0.42
BRAF P15056 1/20 0.40
CCNT1 O60563 2/20 0.40
CCND3 P30281 2/20 0.40
CDK7 P50613 2/20 0.40
CDK9 P50750 2/20 0.40
CCNH P51946 2/20 0.40
CDK6 Q00534 2/20 0.40
MAPK9 P45984 3/20 0.39
KDR P35968 3/20 0.39
MAPK8 P45983 2/20 0.39
PLK4 O00444 2/20 0.39
PIM1 P11309 2/20 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
SCHEMBL5813948 0.99 MAPK14 (0.46) MAPK14CDK4CCND1CDK1CDK2
SCHEMBL5818791 0.96 BRAF (0.43) MAPK14CDK4CCND1CDK1CDK2
SCHEMBL5814640 0.90 BRAF (0.47) MAPK14CDK1CDK2BRAFMAPK9
SCHEMBL5818029 0.90 ADORA1 (0.45) MAPK14CDK4CCND1CDK1CDK2
SCHEMBL5819777 0.89 MAPK9 (0.50) MAPK14CDK4CCND1CDK1CDK2
SCHEMBL5813597 0.89 ADORA1 (0.46) MAPK14CDK4CCND1CDK1CDK2
SCHEMBL5814974 0.89 BRAF (0.47) BRAFMAPK9KDRMAPK8EGFR
SCHEMBL5812748 0.89 MAPK9 (0.51) MAPK14CDK4CCND1CDK1CDK2
SCHEMBL5819550 0.88 MAPK9 (0.47) MAPK14CDK4CCND1CDK1CDK2
SCHEMBL5819553 0.87 MAPK9 (0.48) MAPK14CDK4CCND1CDK1CDK2

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