SCHEMBL12295191

SCHEMBL12295191

Cc1cc(N2CCN(C3COC3)CC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CXCR4 P61073 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.35

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
SCHEMBL20241721 0.82 PIK3CA (0.42) JAK2TYK2HRH4CYP2C19PIK3CA
SCHEMBL25142286 0.82 JAK2 (0.47) JAK2TYK2HRH4CYP2C19PIK3CA
SCHEMBL12295201 0.81 JAK2 (0.39) PIM1PIM3PIM2JAK2TYK2
SCHEMBL14872324 0.81 HRH4 (0.50) PIM1PIM3PIM2JAK2TYK2
SCHEMBL14868457 0.81 HRH4 (0.43) PIM1PIM3PIM2JAK2TYK2
SCHEMBL19703397 0.78 GRIN2D (0.46) PIM1PIM3PIM2JAK2TYK2
SCHEMBL10272311 0.77 CYP2C19 (0.63) HRH4CYP2C19CYP1A2ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL27503702 0.75 HRH4 (0.41) HRH4CYP1A2LRRK2P4HTM
SCHEMBL12497703 0.75 HRH4 (0.57) HRH4CYP2C19CYP1A2ALDH1A1CYP2C9
SCHEMBL11981553 0.75 SMN1; SMN2 (0.50) HRH4CYP2C19ALDH1A1TSHRMAPK1

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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