SCHEMBL8364017

SCHEMBL8364017

N=C(/N=C\N)c1ccc2[nH]nc(-c3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 6/20 0.57
MAPK1 P28482 4/20 0.57
MAPKAPK2 P49137 3/20 0.57
MAPKAPK3 Q16644 3/20 0.57
MAPK6 Q16659 3/20 0.57
MAPKAPK5 Q8IW41 2/20 0.57
CHEK1 O14757 2/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
PLG P00747 2/20 0.40
PLAU P00749 2/20 0.40
PRKD3 O94806 2/20 0.38
CSNK1A1 P48729 2/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL5380658 0.80 MAP2K4 (0.64) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL22819464 0.73 MAP2K4 (1.00) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL5377599 0.73 TSHR (0.57) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL8172308 0.73 MAP2K4 (0.64) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL14516231 0.72 MAP2K4 (0.62) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL8365132 0.71 MAP3K5 (0.53) LRRK2
SCHEMBL5373072 0.71 MAP2K4 (0.55) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL8259036 0.71 MAP2K4 (0.64) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
Hydrochloric Acid SCHEMBL5383107 0.70 MAP2K4 (0.54) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL8365128 0.70 MAPK1 (0.46) MAPK1CHEK1PRKD3CSNK1A1JAK2

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-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed