SCHEMBL5591428

SCHEMBL5591428

Cc1cc(Nc2nc(N3C[C@@H]4C[C@H]3CO4)nc3ccsc23)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 8/20 0.62
▸ PAK4 O96013 4/20 0.48
▸ NTRK1 P04629 1/20 0.40
▸ IGF1R P08069 3/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MET P08581 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FGFR3 P22607 1/20 0.39

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
SCHEMBL14606046 1.00 PAK1 (0.62) PAK1PAK4NTRK1IGF1RGSK3B
SCHEMBL22054248 0.75 PAK1 (0.56) PAK1PAK4IGF1RGSK3BDYRK3
SCHEMBL30250190 0.74 PAK1 (0.76) PAK1PAK4NTRK1IGF1RJAK2
SCHEMBL30250341 0.73 PAK1 (0.78) PAK1PAK4NTRK1IGF1RRET
SCHEMBL23889520 0.73 PAK1 (0.63) PAK1PAK4IGF1RGSK3BDYRK3
SCHEMBL30147226 0.73 PAK1 (0.60) PAK1PAK4NTRK1IGF1RGSK3B
SCHEMBL14606095 0.73 PAK1 (0.60) PAK1PAK4NTRK1IGF1RGSK3B
SCHEMBL23889650 0.72 PAK1 (0.55) PAK1PAK4IGF1RGSK3BDYRK3
SCHEMBL14605895 0.72 PAK1 (0.65) PAK1PAK4IGF1RGSK3BDYRK3
SCHEMBL24175120 0.72 PAK1 (0.59) PAK1PAK4NTRK1IGF1RGSK3B

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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