SCHEMBL10270744

SCHEMBL10270744

CCOc1cccc(-c2cc3nccn3c(NCCNc3ccc(N)cn3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 4/20 0.45
FYN P06241 4/20 0.37
SYK P43405 6/20 0.37
MAP4K4 O95819 2/20 0.37
PKN2 Q16513 2/20 0.37
AURKB Q96GD4 2/20 0.37
SLK Q9H2G2 2/20 0.37
AURKA O14965 1/20 0.37
JAK2 O60674 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
ROS1 P08922 1/20 0.37
SRC P12931 1/20 0.37
FER P16591 1/20 0.37
KDR P35968 1/20 0.37
BLK P51451 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PRKCD Q05655 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
SCHEMBL10270160 0.92 MAP4K2 (0.54) MAP4K2FYNSYKMAP4K4PKN2
SCHEMBL10270290 0.87 MAP4K2 (0.40) MAP4K2SYKMAP4K4PKN2AURKB
SCHEMBL12680505 0.87 MAP4K2 (0.41) MAP4K2FYNSYKMAP4K4PKN2
SCHEMBL10269928 0.85 HRH4 (0.48) MAP4K2FYNSYKMAP4K4PKN2
SCHEMBL10270292 0.84 SYK (0.39) MAP4K2SYKMAP4K4PKN2AURKB
SCHEMBL10270176 0.83 SYK (0.41) MAP4K2FYNSYKKDRCDK2
SCHEMBL14079553 0.82 TYRO3 (0.44) FYNJAK2CLK4CYP3A4
SCHEMBL10270295 0.81 PIM1 (0.41) MAP4K2SYKMAP4K4PKN2AURKB
SCHEMBL10270304 0.81 SYK (0.36) MAP4K2FYNSYKMAP4K4PKN2
SCHEMBL10270293 0.80 SCN5A (0.37) MAP4K2SYKMAP4K4PKN2AURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed