SCHEMBL8220907

SCHEMBL8220907

CC(=O)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 20/20 1.00
MAPK12 P53778 20/20 1.00
MAPK11 Q15759 20/20 1.00
MAPK14 Q16539 20/20 1.00

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
Morpholine SCHEMBL4585315 0.84 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4915298 0.84 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4908525 0.82 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4918512 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6420880 0.80 MAPK13 (0.75) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4593758 0.79 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7611282 0.79 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6421005 0.79 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4592699 0.77 MAPK14 (0.78) MAPK13MAPK12MAPK11MAPK14
SCHEMBL15830688 0.76 CSNK1D (0.85) MAPK13MAPK12MAPK11MAPK14

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
US-6150557-A REACTING COMPOUND CONTAINING SECONDARY AMIDE GROUPS WITH BENZENESULFINIC ACID OR ITS DERIVATIVE IN PRESENCE OF ACID CATALYST SMITHKLINE BEECHAM CORPORATION (US) 2000-11-21 US disclosed