SCHEMBL3710952

SCHEMBL3710952

CCc1sc(C(=O)N[C@@H]2[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CCCC2(F)F)cc1-c1cnc2cccnn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 8/20 0.57
SGK1 O00141 1/20 0.36
CHEK1 O14757 1/20 0.36
IKBKB O14920 1/20 0.36
MAPK13 O15264 1/20 0.36
PDPK1 O15530 1/20 0.36
NUAK1 O60285 1/20 0.36
CCNT1 O60563 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
RAF1 P04049 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
MET P08581 1/20 0.36
HCK P08631 1/20 0.36
PIM1 P11309 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL1743779 0.90 MARK3 (0.55) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL1691900 0.84 MARK3 (0.58) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL10066136 0.83 MARK3 (0.68) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL1692068 0.82 MARK3 (0.81) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL10066126 0.82 MARK3 (0.81) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL1691499 0.82 MARK3 (0.81) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL10066133 0.82 MARK3 (0.81) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL15187428 0.82 IRAK4 (0.56) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL15187447 0.82 MARK3 (0.49) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL1743475 0.82 MARK3 (0.41) MARK3SGK1CHEK1IKBKBMAPK13

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-2010083145-A1 IMIDAZO[1,2-a]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-07-22 WO disclosed