SCHEMBL27690107

SCHEMBL27690107

COc1ccccc1NC(=O)c1ccncc1Nc1ccc(I)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.56
MAP2K2 P36507 1/20 0.56
PRKCZ Q05513 1/20 0.56
IARS2 Q9NSE4 1/20 0.56
MAPT P10636 4/20 0.50
ABCB1 P08183 3/20 0.48
ABCC1 P33527 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSK3B P49841 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
AHR P35869 1/20 0.44

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
SCHEMBL2022441 0.85 MAP2K1 (0.54) MAP2K1MAP2K2PRKCZIARS2MAPT
SCHEMBL2023622 0.84 MAP2K1 (0.58) MAP2K1MAP2K2PRKCZIARS2MAPT
SCHEMBL3885464 0.81 MAP2K1 (0.60) MAP2K1MAP2K2PRKCZIARS2ALDH1A1
SCHEMBL29781369 0.81 MAP2K1 (0.60) MAP2K1MAP2K2PRKCZIARS2ALDH1A1
SCHEMBL2021884 0.80 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL28766210 0.80 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2025345 0.79 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2023267 0.79 MAP2K1 (0.69) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL31354759 0.79 MAP2K1 (0.62) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2018997 0.79 MAP2K1 (0.53) MAP2K1MAP2K2PRKCZIARS2ABCB1

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
CN-101065358-A 3-arylamino pyridine derivatives APPLIED RESEARCH SYSTEMS (AN) 2007-10-31 CN disclosed