SCHEMBL6985543

SCHEMBL6985543

Cc1cccc(C(=O)NCC(C)(C)C(Nc2c(Nc3cccnc3)c(=O)c2=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.50
BRAF P15056 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CSF1R P07333 2/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
TBXA2R P21731 1/20 0.40
TBXAS1 P24557 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
ABCC9 O60706 1/20 0.40
KCNJ11 Q14654 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 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
SCHEMBL6983720 0.91 MAPKAPK2 (0.49) MAPKAPK2BRAFCSF1RTBXA2RTBXAS1
SCHEMBL6989503 0.87 MAPKAPK2 (0.49) MAPKAPK2CYP3A4CYP2C9CYP2C19CSF1R
SCHEMBL6988227 0.87 MAPKAPK2 (0.49) MAPKAPK2CYP3A4CYP2C9CYP2C19TBXA2R
SCHEMBL6989571 0.84 KMT2A (0.50) MAPKAPK2GPR139MEN1KMT2AMAPK1
SCHEMBL6985065 0.80 CYP3A4 (0.49) MAPKAPK2BRAFCYP1A2CYP3A4CYP2C9
SCHEMBL6982343 0.78 CYP1A2 (0.56) MAPKAPK2BRAFCYP1A2CYP3A4CYP2C9
SCHEMBL7161076 0.76 CYP1A2 (0.49) MAPKAPK2BRAFCYP1A2CYP3A4CYP2C9
SCHEMBL6989589 0.75 CCR6 (0.44) MAPKAPK2CYP3A4CYP2C9KMT2A
SCHEMBL6988714 0.71 SIRT2 (0.43) MAPKAPK2TBXA2RTBXAS1MEN1KMT2A
SCHEMBL6987131 0.71 GRM5 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19CSF1R

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
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed