SCHEMBL14547732

SCHEMBL14547732

CN(C)Cc1cccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.55
▸ PAK4 O96013 5/20 0.52
▸ PTK2 Q05397 3/20 0.52
▸ NTRK1 P04629 2/20 0.52
▸ JAK2 O60674 2/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ SYK P43405 2/20 0.52
▸ SGK1 O00141 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ PRKAB2 O43741 1/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ INSR P06213 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ CSF1R P07333 1/20 0.52

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
SCHEMBL14547861 0.88 LRRK2 (0.64) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547847 0.82 LRRK2 (0.58) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547944 0.82 LRRK2 (0.62) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547919 0.81 LRRK2 (0.70) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547923 0.80 LRRK2 (0.57) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547864 0.80 LRRK2 (0.62) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547950 0.79 LRRK2 (0.50) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547962 0.79 JAK2 (0.57) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547850 0.78 LRRK2 (0.62) LRRK2PAK4PTK2NTRK1JAK2
SCHEMBL14547941 0.77 LRRK2 (0.59) LRRK2PAK4PTK2NTRK1JAK2

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
Send feedback