SCHEMBL5597675

SCHEMBL5597675

OC1CC2CC1N(c1nc(Nc3cc(C4CC4)[nH]n3)c3ccsc3n1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 6/20 0.46
▸ PAK4 O96013 6/20 0.46
▸ IGF1R P08069 6/20 0.46
▸ DYRK3 O43781 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MET P08581 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ SYK P43405 1/20 0.40

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
SCHEMBL14605900 0.86 PAK1 (0.64) PAK1PAK4IGF1RDYRK3JAK2
SCHEMBL4072593 0.75 IGF1R (0.48) PAK1PAK4IGF1RDYRK3JAK2
SCHEMBL14605906 0.71 LCK (0.51) IGF1RLCKRETGSK3BAURKB
SCHEMBL14605959 0.71 LCK (0.51) IGF1RLCKRETGSK3BAURKB
SCHEMBL4076569 0.68 NTRK1 (0.65) PAK4IGF1RDYRK3JAK2PRKD3
SCHEMBL14605893 0.66 PAK1 (0.79) PAK1PAK4IGF1RDYRK3JAK2
SCHEMBL14605940 0.66 PAK1 (0.66) PAK1PAK4IGF1RDYRK3JAK2
SCHEMBL14605895 0.65 PAK1 (0.65) PAK1PAK4IGF1RDYRK3JAK2
SCHEMBL30250067 0.64 PAK1 (0.52) PAK1PAK4IGF1RRETAURKB
SCHEMBL30250072 0.64 PAK1 (0.54) PAK1PAK4IGF1RRETACVR1

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