SCHEMBL7844639

SCHEMBL7844639

CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3ccccc3Cl)c2-c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 12/20 0.44
MAPK14 Q16539 12/20 0.44
BUB1 O43683 1/20 0.42
BTK Q06187 1/20 0.41
DRD2 P14416 2/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 1/20 0.40
DRD3 P35462 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 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
SCHEMBL14411681 0.86 MAPK11 (0.60) MAPK11MAPK14KCNH2
SCHEMBL5256058 0.86 MAPK11 (0.60) MAPK11MAPK14KCNH2
SCHEMBL14411923 0.74 MAPK11 (0.58) MAPK11MAPK14KCNH2
SCHEMBL5259074 0.73 MAPK11 (0.70) MAPK11MAPK14KCNH2
SCHEMBL5257782 0.73 MAPK11 (0.70) MAPK11MAPK14KCNH2
SCHEMBL14521933 0.72 MAPK11 (0.47) MAPK11MAPK14BUB1DRD2DRD3
SCHEMBL5258912 0.71 MAPK11 (0.69) MAPK11MAPK14KCNH2
SCHEMBL5256172 0.67 MAPK11 (0.70) MAPK11MAPK14KCNH2
SCHEMBL5454667 0.66 LRRK2 (0.50) MAPK11MAPK14CNR1CNR2
SCHEMBL19380852 0.66 KDM1A (0.68) BTKDRD2EPHX2

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-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed