SCHEMBL12295201

SCHEMBL12295201

CC(C)c1cc(N2CCN(C3COC3)CC2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LRRK2 Q5S007 5/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ OGA O60502 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ P4HTM Q9NXG6 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ RET P07949 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
SCHEMBL12295191 0.81 PIM1 (0.41) JAK2TYK2HRH4CYP2C19LRRK2
SCHEMBL10223327 0.79 CYP2C19 (0.58) CYP2C19LRRK2PIK3CAKMO
SCHEMBL25142286 0.78 JAK2 (0.47) JAK2TYK2HRH4CYP2C19LRRK2
SCHEMBL20241721 0.78 PIK3CA (0.42) JAK2TYK2HRH4CYP2C19LRRK2
SCHEMBL14872324 0.78 HRH4 (0.50) JAK2TYK2HRH4CYP2C19LRRK2
SCHEMBL14868457 0.78 HRH4 (0.43) JAK2TYK2HRH4CYP2C19LRRK2
SCHEMBL11960308 0.77 HRH4 (0.53) HRH4CYP2C19
SCHEMBL11960323 0.77 SMN1; SMN2 (0.46) HRH4CYP2C19LRRK2
SCHEMBL19703400 0.77 PIK3CD (0.42) JAK2TYK2TLR9TLR8TLR7
SCHEMBL10255064 0.76 TLR9 (0.37) TLR9TLR8TLR7OGAPIM1

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-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 — — WO disclosed
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