SCHEMBL20273688

SCHEMBL20273688

Bc1ccc2nc(-c3cccnc3)nc(NCCCOC)c2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 10/20 0.60
▸ PDE5A O76074 6/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50

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
SCHEMBL17212398 0.89 GBA1 (0.61) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL16183741 0.84 GBA1 (0.59) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL14727594 0.82 GBA1 (0.59) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL14727601 0.81 PDE5A (0.55) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL14475620 0.80 CYP1A2 (0.70) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL7280290 0.79 GBA1 (0.58) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL7286156 0.79 CYP1A2 (0.58) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL16183747 0.78 CYP1A2 (0.61) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL14727595 0.77 CYP1A2 (0.55) GBA1PDE5AALDH1A1LMNAMEN1
SCHEMBL14475598 0.77 GBA1 (0.71) GBA1PDE5AALDH1A1LMNAMEN1

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
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 — — EP disclosed
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