SCHEMBL3261526

SCHEMBL3261526

Cc1[nH]nc(OC(C)C)c1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.51
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ AKT2 P31751 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ IMPDH2 P12268 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ IKBKB O14920 2/20 0.35
▸ MAP3K14 Q99558 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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 0.85 AKT2 (0.56) LRRK2POLBAKT2CHEK1KMT2A
SCHEMBL3390214 0.83 IKBKB (0.55) LRRK2TDP1POLBAKT2CHEK1
SCHEMBL3263313 0.82 ALK (0.47) LRRK2TDP1AKT2CHEK1MKNK1
SCHEMBL3261336 0.81 HSP90AA1 (0.48) LRRK2TDP1KMT2ALMNAIKBKB
SCHEMBL3262839 0.74 MAPT (0.49) LMNAALDH1A1
SCHEMBL28979838 0.73 AKT2 (0.68) LRRK2AKT2CHEK1IMPDH2KMT2A
SCHEMBL3259645 0.70 KMT2A (0.50) LRRK2KMT2ALMNAALDH1A1HSD17B10
SCHEMBL14519374 0.67 LRRK2 (0.60) LRRK2AKT2CHEK1KMT2AMKNK1
SCHEMBL5450218 0.67 LRRK2 (0.56) LRRK2
SCHEMBL3263794 0.66 LRRK2 (0.45) LRRK2

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
Send feedback