SCHEMBL5813645

SCHEMBL5813645

COc1ccc(-c2nc(C3(O)CCNCC3)sc2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.44
MKNK1 Q9BUB5 1/20 0.41
IKBKB O14920 1/20 0.41
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
ERBB2 P04626 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
BRD4 O60885 1/20 0.39
CDK4 P11802 4/20 0.39
CCND1 P24385 4/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNT1 O60563 2/20 0.39
CCND3 P30281 2/20 0.39
CDK7 P50613 2/20 0.39
CDK9 P50750 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
SCHEMBL5817804 0.99 EIF2AK2 (0.43) EIF2AK2MKNK1IKBKBEGFRRAF1
SCHEMBL5812889 0.97 IKBKB (0.42) EIF2AK2MKNK1IKBKBBRD4KCNH2
SCHEMBL5819371 0.89 IKBKB (0.43) EIF2AK2IKBKBMAPK9CDK4CCND1
SCHEMBL5818906 0.89 MAPK8 (0.51) EGFRRAF1ERBB2KDRMAPK8
SCHEMBL5819019 0.88 HTR6 (0.43) EIF2AK2IKBKBMAPK9CDK4CCND1
SCHEMBL5819375 0.86 EIF2AK2 (0.44) EIF2AK2MKNK1IKBKBKDRMAPK8
SCHEMBL5818981 0.85 IKBKB (0.45) IKBKBMAPK8MAPK9KCNH2ALDH1A1
SCHEMBL5819021 0.85 EIF2AK2 (0.44) EIF2AK2MKNK1IKBKBEGFRRAF1
SCHEMBL5814867 0.85 KCNH2 (0.51) MAPK8MAPK9KCNH2ACHE
SCHEMBL5813948 0.84 MAPK14 (0.46) IKBKBEGFRRAF1ERBB2KDR

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