SCHEMBL5591517

SCHEMBL5591517

CCc1cc(Nc2cc(Cc3cccc(C#N)c3)nc(Cl)n2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRK6 P43250 9/20 0.42
▸ AURKA O14965 4/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.40
▸ PLK4 O00444 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GRIA2 P42262 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ MPO P05164 1/20 0.36
▸ IGF1R P08069 1/20 0.35

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
SCHEMBL14606049 0.85 PAK4 (0.49) GRK6AURKAPLK4PAK4IGF1R
SCHEMBL14605943 0.82 PLK4 (0.38) GRK6AURKAPLK4PAK4HRH3
SCHEMBL14605903 0.81 PAK1 (0.38) GRK6AURKAPLK4PAK4HRH3
SCHEMBL3852749 0.78 GRK6 (0.41) GRK6AURKAPLK4PAK4IGF1R
SCHEMBL5591240 0.77 RET (0.40) GRK6AURKAPLK4PAK4GRIA2
SCHEMBL5768922 0.74 GRK6 (0.41) GRK6AURKAPLK4PAK4IGF1R
SCHEMBL3852023 0.72 GRK6 (0.42) GRK6AURKAPLK4PAK4IGF1R
SCHEMBL5591814 0.72 HRH3 (0.47) YTHDC1HRH3GRIA2GRIN1GRIN2A
SCHEMBL3849950 0.71 GRK6 (0.42) GRK6AURKAPLK4PAK4IGF1R
SCHEMBL5822082 0.71 GRK6 (0.42) GRK6AURKAPLK4PAK4IGF1R

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
WO-2007023382-A2 PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS PFIZER INC. (US) 2007-03-01 — — WO disclosed
WO-2007023382-A2 PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS PFIZER INC. (US) 2007-03-01 — — WO disclosed
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