SCHEMBL2843258

SCHEMBL2843258

CCOC(=O)NC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(C)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
CTSK P43235 1/20 0.34
ABL1 P00519 7/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
DYRK3 O43781 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MAPK1 P28482 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 2/20 0.32
MAP3K7 O43318 1/20 0.32
MAP3K6 O95382 1/20 0.32
MAP3K5 Q99683 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL8510314 0.94 NOTUM (0.35) NOTUMCTSKABL1MAPK1PKM
SCHEMBL210181 0.92 MAP4K1 (0.38) MAPK1RAB9AMAP3K5MAPT
SCHEMBL210182 0.92 MAP4K1 (0.38) MAPK1RAB9AMAP3K5MAPT
SCHEMBL212522 0.92 MAPK1 (0.33) NOTUMCTSKABL1MAPK1PKM
SCHEMBL210472 0.90 NOTUM (0.34) NOTUMCTSKABL1MAPK1PKM
SCHEMBL27789219 0.90 CTSK (0.40) NOTUMCTSKABL1MAPK1PKM
SCHEMBL27810814 0.90 CTSK (0.40) NOTUMCTSKABL1MAPK1PKM
SCHEMBL2726878 0.90 ANO1 (0.33) NOTUMCTSKABL1MAPK1PKM
SCHEMBL213602 0.90 ABL1 (0.33) NOTUMCTSKABL1MAPK1PKM
SCHEMBL213601 0.90 ABL1 (0.33) NOTUMCTSKABL1MAPK1PKM

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-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed