SCHEMBL2868860

SCHEMBL2868860

Cc1ccc(C(=O)NC[C@@H](C)O)cc1Nc1nc2ccc(F)cc2c2c1=CC(=O)[N]C=2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 17/20 0.41
MAPT P10636 1/20 0.38
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2858246 0.87 MAPT (0.43) MAPT
SCHEMBL2859344 0.84 MAPT (0.43) MAPTMAPK14TP53
SCHEMBL11981748 0.80 JAK2 (0.48) ACSS2MAPK14
SCHEMBL3502963 0.80 JAK2 (0.48) ACSS2MAPK14
SCHEMBL2870379 0.77 LYN (0.34)
SCHEMBL2863267 0.69 JAK2 (0.37) TP53
SCHEMBL2867090 0.67 JAK2 (0.34)
SCHEMBL2868877 0.65 MAPT (0.43) MAPTMAPK14
SCHEMBL2872707 0.64 JAK2 (0.56) MAPT
SCHEMBL5858634 0.64 NR1H4 (0.55) ACSS2TP53POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP claimed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO claimed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed