SCHEMBL4748567

SCHEMBL4748567

CCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.78
MAP2K2 P36507 9/20 0.78
PIM1 P11309 1/20 0.77
CAMK2B Q13554 1/20 0.77
BRAF P15056 1/20 0.72
MAPK1 P28482 1/20 0.72
MAP2K5 Q13163 1/20 0.72
HDAC3 O15379 2/20 0.70
HDAC4 P56524 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC7 Q8WUI4 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
HDAC9 Q9UKV0 2/20 0.70
HDAC5 Q9UQL6 2/20 0.70
RAF1 P04049 1/20 0.61
PDGFRB P09619 1/20 0.61

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
SCHEMBL5398785 0.91 MAP2K1 (0.66) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4851822 0.91 PIM1 (0.80) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4864135 0.89 PIM1 (0.84) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL30022418 0.89 MAP2K1 (0.85) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL22030445 0.89 MAP2K1 (0.85) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4859890 0.88 MAP2K1 (0.85) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL20435083 0.88 MAP2K1 (0.85) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL26891479 0.88 MAP2K1 (0.74) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL22026444 0.88 MAP2K1 (0.84) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4858053 0.88 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BBRAF

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-2008132464-A2 MEK5 AND RELATED PROTEINS AS BIOMARKERS OF NEURODEGENERATIVE DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2008-11-06 WO claimed