SCHEMBL4206325

SCHEMBL4206325

CCO[C@@H]1C[C@@H](OC(=O)Nc2ccc(N3CCOCC3=O)cc2F)N(C(=O)/C=C/c2c[nH]cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.43
MTOR P42345 3/20 0.35
MAP4K1 Q92918 1/20 0.33
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL4207838 0.93 F10 (0.41) F10MTORJAK2JAK1TYK2
SCHEMBL75963 0.90 F10 (0.51) F10MTORMAP4K1ATML3MBTL1
SCHEMBL75962 0.90 F10 (0.51) F10MTORMAP4K1ATML3MBTL1
SCHEMBL4214651 0.90 F10 (0.53) F10MTORJAK3
SCHEMBL4208884 0.90 F10 (0.40) F10MTORMAP4K1JAK2JAK1
SCHEMBL2639923 0.86 F10 (0.52) F10
SCHEMBL4211411 0.85 F10 (0.48) F10
SCHEMBL4209702 0.85 F10 (0.48) F10MTOR
SCHEMBL2640106 0.85 F10 (0.43) F10MTOR
SCHEMBL4208665 0.85 F10 (0.47) F10MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791597-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF Merck Patent GmbH (DE) 2007-06-06 EP claimed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO claimed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP disclosed
EP-1791597-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF Merck Patent GmbH (DE) 2007-06-06 EP disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed