SCHEMBL14547860

SCHEMBL14547860

FC(F)(F)CNc1nc(Nc2ccc(CCN3CCOCC3)cc2)nc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.56
▸ IGF1R P08069 4/20 0.51
▸ TTK P33981 4/20 0.51
▸ JAK3 P52333 4/20 0.51
▸ JAK2 O60674 3/20 0.51
▸ ABL1 P00519 3/20 0.51
▸ RET P07949 3/20 0.51
▸ KDR P35968 3/20 0.51
▸ MAPK8 P45983 3/20 0.51
▸ BTK Q06187 3/20 0.51
▸ MAP4K2 Q12851 3/20 0.51
▸ NTRK2 Q16620 3/20 0.51
▸ PTK2 Q05397 3/20 0.51
▸ FGFR1 P11362 2/20 0.51
▸ INSR P06213 2/20 0.51
▸ LCK P06239 2/20 0.51
▸ FYN P06241 2/20 0.51
▸ MST1 P26927 2/20 0.51
▸ SYK P43405 2/20 0.51
▸ TNK2 Q07912 2/20 0.51

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
SCHEMBL14547733 0.92 LRRK2 (0.59) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547960 0.91 LRRK2 (0.58) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547950 0.82 LRRK2 (0.50) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547735 0.81 LRRK2 (0.58) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547864 0.79 LRRK2 (0.62) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547958 0.78 LRRK2 (0.72) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547935 0.77 LRRK2 (0.74) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547919 0.76 LRRK2 (0.70) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547861 0.76 LRRK2 (0.64) LRRK2IGF1RTTKJAK3JAK2
SCHEMBL14547952 0.76 LRRK2 (0.61) LRRK2IGF1RTTKJAK3JAK2

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-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO disclosed
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