SCHEMBL5817804

SCHEMBL5817804

COc1ccc(-c2nc(C3(O)CCNCC3)sc2-c2ccnc(NC3CCCCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.43
MAPK8 P45983 3/20 0.41
MAPK9 P45984 3/20 0.41
KDR P35968 2/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ERBB2 P04626 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
IKBKB O14920 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CDK1 P06493 3/20 0.39
CDK2 P24941 3/20 0.39
CCNB1 P14635 2/20 0.39
CCNA2 P20248 2/20 0.39
CCNA1 P78396 1/20 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
SCHEMBL5813645 0.99 EIF2AK2 (0.44) EIF2AK2MAPK8MAPK9KDREGFR
SCHEMBL5812889 0.96 IKBKB (0.42) EIF2AK2MKNK1IKBKBBRD4KCNH2
SCHEMBL5819019 0.89 HTR6 (0.43) EIF2AK2MAPK9IKBKBALDH1A1MAPT
SCHEMBL5819371 0.88 IKBKB (0.43) EIF2AK2MAPK9IKBKBALDH1A1HPGD
SCHEMBL5818906 0.88 MAPK8 (0.51) MAPK8MAPK9KDREGFRRAF1
SCHEMBL5819021 0.86 EIF2AK2 (0.44) EIF2AK2MAPK8MAPK9KDREGFR
SCHEMBL5819375 0.85 EIF2AK2 (0.44) EIF2AK2MAPK8MAPK9KDRMKNK1
SCHEMBL5818981 0.85 IKBKB (0.45) MAPK8MAPK9IKBKBALDH1A1HPGD
SCHEMBL5814867 0.84 KCNH2 (0.51) MAPK8MAPK9KCNH2MAPK1GSK3A
SCHEMBL5817822 0.84 MAPK14 (0.46) MAPK8MAPK9KDREGFRRAF1

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