SCHEMBL4721168

SCHEMBL4721168

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3nc(C(=O)O)cs3)[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
ENPP2 Q13822 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK13 O15264 4/20 0.41
MAPK12 P53778 4/20 0.41
MAPK11 Q15759 4/20 0.41
MAPK14 Q16539 4/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MMP13 P45452 1/20 0.41
ACKR3 P25106 1/20 0.40
RAF1 P04049 2/20 0.40
MAPK9 P45984 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4722744 0.88 MAPK11 (0.45) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL4761505 0.84 MAPK11 (0.52) JAK2JAK3PTK2ENPP2SMN1; SMN2
SCHEMBL4025352 0.83 CSNK1A1 (0.60) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL4584849 0.83 CSNK1A1 (0.60) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL8551836 0.79 CSNK1A1 (0.46) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL4790528 0.78 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL8549534 0.76 MAPK14 (0.50) HPGDSJAK2JAK3PTK2ENPP2
SCHEMBL3099823 0.76 HTT (0.59) HPGDSMMP13MEN1KMT2AGPR119
SCHEMBL8554729 0.75 MAPK13 (0.43) HPGDSJAK2JAK3PTK2MAPK13
SCHEMBL4762479 0.75 MAPK11 (0.49) JAK2JAK3PTK2ENPP2MAPK11

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-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO disclosed