SCHEMBL3263313

SCHEMBL3263313

Cc1[nH]nc(OC(C)C)c1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.47
▸ LRRK2 Q5S007 3/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ CHEK1 O14757 2/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ MET P08581 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PDGFRA P16234 1/20 0.45

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
SCHEMBL3267568 0.83 AKT2 (0.56) LRRK2PIM1CHEK1AURKACSF1R
SCHEMBL3261526 0.82 LRRK2 (0.51) LRRK2CHEK1MKNK1MKNK2ALDH1A1
SCHEMBL17156128 0.75 LRRK2 (0.42) ALKLRRK2PIM1CHEK1AURKA
SCHEMBL3262839 0.75 MAPT (0.49) ROCK1DYRK1ACLK4ALDH1A1LMNA
SCHEMBL3390214 0.75 IKBKB (0.55) LRRK2CHEK1CDK8IKBKEMKNK1
SCHEMBL2322659 0.74 AKT2 (0.67) ALKLRRK2PIM1CHEK1AURKA
SCHEMBL3261336 0.74 HSP90AA1 (0.48) LRRK2IKBKECYP1A2ALDH1A1CYP3A4
SCHEMBL3261292 0.69 ALDH1A1 (0.46) MKNK1MKNK2ALDH1A1
SCHEMBL7534819 0.69 MKNK1 (0.45) ALKMKNK1MKNK2CYP1A2CYP2A6
SCHEMBL3259645 0.69 KMT2A (0.50) LRRK2GSK3BALDH1A1LMNAHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
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