SCHEMBL5819375

SCHEMBL5819375

COc1ccc(-c2nc(CC3(O)CCNCC3)sc2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
IKBKB O14920 1/20 0.39
BRD4 O60885 1/20 0.38
KCNH2 Q12809 4/20 0.38
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
CCNT1 O60563 2/20 0.38
CCND3 P30281 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CCNH P51946 2/20 0.38
CDK6 Q00534 2/20 0.38
CDK1 P06493 3/20 0.37
CDK2 P24941 3/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL5819021 0.99 EIF2AK2 (0.44) EIF2AK2ALDH1A1MAPTHPGDMKNK1
SCHEMBL5818988 0.97 MKNK1 (0.41) EIF2AK2MKNK1IKBKBBRD4KCNH2
SCHEMBL5818945 0.89 KCNH2 (0.48) KCNH2MAPK1KDRMAPK8MAPK9
SCHEMBL5818452 0.89 KCNH2 (0.47) KCNH2MAPK1KDRMAPK8MAPK9
SCHEMBL5813645 0.86 EIF2AK2 (0.44) EIF2AK2ALDH1A1MAPTHPGDMKNK1
SCHEMBL5819512 0.86 KCNH2 (0.49) KCNH2MAPK1MAPK8MAPK9GSK3A
SCHEMBL5817804 0.85 EIF2AK2 (0.43) EIF2AK2ALDH1A1MAPTHPGDMKNK1
SCHEMBL5812754 0.85 MAPK14 (0.52) CDK4CCND1CCNT1CCND3CDK7
SCHEMBL5819779 0.84 MAPK14 (0.51) CDK4CCND1CCNT1CCND3CDK7
SCHEMBL5818782 0.83 BRAF (0.46) IKBKBKCNH2KDRMAPK8MAPK9

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