SCHEMBL8340232

SCHEMBL8340232

CN(C)CCOc1cccc2c1C(=O)c1cccc3[nH]nc-2c13

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK8 P45983 2/20 0.50
MAPK9 P45984 2/20 0.50
MAPK10 P53779 2/20 0.50
KIT P10721 2/20 0.50
FLT3 P36888 2/20 0.50
MEN1 O00255 1/20 0.50
CDC7 O00311 1/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
IKBKB O14920 1/20 0.50
RGS12 O14924 1/20 0.50
AURKA O14965 1/20 0.50
GAK O14976 1/20 0.50
NPC1 O15118 1/20 0.50
PDPK1 O15530 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50

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
SCHEMBL14277268 0.86 TTK (0.52) KDRALDH1A1KDM4EMAPK8MAPK9
SCHEMBL8336736 0.86 CYP1A2 (0.52) KDRALDH1A1KDM4EMAPK8MAPK9
SCHEMBL8339586 0.84 TTK (0.53) KDRALDH1A1KDM4EMAPK8MAPK9
SCHEMBL8337967 0.84 KDR (0.47) KDRALDH1A1KDM4EMAPK8MAPK9
SCHEMBL8172258 0.79 MAPK8 (0.56) KDRALDH1A1KDM4EMAPK8MAPK9
SCHEMBL7791992 0.77 HTR7 (0.54) ALDH1A1KDM4EHTR7SMN1; SMN2HTR1B
SCHEMBL8338946 0.77 TTK (0.50) KDRALDH1A1KDM4EMAPK8MAPK9
SCHEMBL8342541 0.75 CDK2 (0.60) KDRALDH1A1KDM4EMAPK8MAPK9
SCHEMBL5251497 0.75 ALDH1A1 (0.48) KDRALDH1A1KDM4EMAPK8MAPK9
Hydrochloric Acid SCHEMBL11606266 0.75 KCNA3 (0.61) ALDH1A1KDM4ELMNAMAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
WO-2004084891-A1 METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed