SCHEMBL4421897

SCHEMBL4421897

Nc1[nH]c(Nc2ccc(F)c(F)c2)nc2ncnc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
PIK3CA P42336 1/20 0.37
DHFR P00374 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
MAPT P10636 2/20 0.36
EGFR P00533 2/20 0.36
RAF1 P04049 1/20 0.36
HTT P42858 1/20 0.36
MAP2K1 Q02750 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIT P10721 2/20 0.35
SOS1 Q07889 1/20 0.35
GRM4 Q14833 1/20 0.34

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
SCHEMBL4417948 0.89 GAA (0.43) MAPK1PIK3CAKDM4EMEN1GAA
SCHEMBL4410317 0.83 TAAR1 (0.48) MAPK1KDM4EMEN1KMT2AHSD17B10
SCHEMBL4428827 0.79 EGFR (0.50) MAPTEGFR
SCHEMBL4427810 0.78 EGFR (0.45) PIK3CAMEN1GFERKMT2AMAPT
SCHEMBL4414428 0.78 EGFR (0.47) MAPK1GFERHSD17B10EGFRHTT
SCHEMBL4414311 0.78 EGFR (0.53) MEN1KMT2AMAPTEGFR
SCHEMBL4411564 0.78 CDC7 (0.49) MAPK1KDM4EMEN1GAAKMT2A
SCHEMBL4413885 0.78 FYN (0.46) KDM4EMEN1GAAKMT2AHSD17B10
SCHEMBL4412315 0.75 ABCG2 (0.44) MEN1KMT2AMAPTEGFRSMN1; SMN2
SCHEMBL4412798 0.75 ROCK1 (0.50) EGFRHDAC11

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-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed