SCHEMBL5812866

SCHEMBL5812866

OC1(c2nc(-c3ccccc3F)c(-c3ccnc(NC4CC4)n3)s2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.39
MAPK10 P53779 4/20 0.39
MAPK9 P45984 4/20 0.39
IKBKB O14920 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
RET P07949 1/20 0.38
CDK2 P24941 3/20 0.37
KCNH2 Q12809 2/20 0.37
CDK4 P11802 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CCNA1 P78396 1/20 0.37
MAPK14 Q16539 2/20 0.36
GSK3B P49841 2/20 0.36
MAP2K7 O14733 1/20 0.36
MAPK13 O15264 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL5816357 0.96 RET (0.39) MAPK8MAPK10MAPK9IKBKBIRAK4
SCHEMBL5819462 0.96 CDK1 (0.40) MAPK8MAPK10MAPK9IKBKBIRAK4
SCHEMBL5819362 0.88 IKBKB (0.41) MAPK8MAPK10MAPK9IKBKBRET
SCHEMBL5814867 0.85 KCNH2 (0.51) MAPK8MAPK9KCNH2GSK3BPRKD3
SCHEMBL5819363 0.85 MAPK8 (0.38) MAPK8MAPK10MAPK9IKBKBIRAK4
SCHEMBL5812919 0.84 MAPK9 (0.42) MAPK9IKBKBRETCDK2CDK4
SCHEMBL5815121 0.84 BRAF (0.50) MAPK8MAPK9IKBKBKCNH2MAPK14
SCHEMBL5818839 0.84 MAPK9 (0.42) MAPK9IKBKBRETCDK2CDK4
SCHEMBL5815968 0.83 MAPK14 (0.41) MAPK8MAPK9MAPK14GSK3BMAPK13
SCHEMBL5818906 0.82 MAPK8 (0.51) MAPK8MAPK9KCNH2GSK3BPRKD3

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