SCHEMBL20170439

SCHEMBL20170439

Nc1cc(F)ccc1Nc1ccncn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.44
MKNK2 Q9HBH9 6/20 0.42
EGFR P00533 2/20 0.39
ERBB2 P04626 1/20 0.39
HDAC1 Q13547 2/20 0.39
FYN P06241 1/20 0.39
HDAC3 O15379 1/20 0.38
NCOR1 O75376 1/20 0.38
MAPK14 Q16539 2/20 0.38
EIF4E P06730 1/20 0.38
TDO2 P48775 1/20 0.38
IDO1 P14902 1/20 0.38
GSK3A P49840 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MPL P40238 1/20 0.37

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
SCHEMBL11901790 0.88 MKNK1 (0.43) MKNK1MKNK2EGFRERBB2FYN
SCHEMBL6836639 0.79 MEN1 (0.55) HDAC1HDAC3NCOR1MAPK14CDK5
SCHEMBL27956437 0.78 EGFR (0.47) MKNK1MKNK2EGFRERBB2FYN
SCHEMBL7677416 0.77 MAPK10 (0.56) MKNK1EGFRHDAC1HDAC3
SCHEMBL16657381 0.77 RAD52 (0.50) HDAC1HDAC3NCOR1MAPK14
SCHEMBL16657370 0.77 MKNK1 (0.44) MKNK1MKNK2EGFREIF4EGSK3A
SCHEMBL18387056 0.76 AURKA (0.44) HDAC1HDAC3NCOR1MAPK14
SCHEMBL11901159 0.74 HTT (0.47) MKNK1MKNK2MPL
SCHEMBL16996884 0.73 GSK3A (0.48) MKNK1MKNK2EGFRERBB2FYN
SCHEMBL30611577 0.73 MEN1 (0.56) MKNK1MKNK2EGFRERBB2CLK4

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
EP-3323817-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-05-23 EP disclosed