SCHEMBL14276897

SCHEMBL14276897

COc1cccc(-c2cccnc2N2CCC(c3nc[nH]c3C)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 17/20 0.76
▸ SLC9A2 Q9UBY0 1/20 0.52
▸ KIT P10721 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.45
▸ STK4 Q13043 1/20 0.45
▸ STK3 Q13188 1/20 0.45
▸ LRRK2 Q5S007 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
SCHEMBL14276745 0.89 SLC9A1 (0.61) SLC9A1SLC9A2KIT
SCHEMBL14276908 0.88 SLC9A1 (0.74) SLC9A1SLC9A2PDE10ASTK4STK3
SCHEMBL14276738 0.87 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276898 0.86 SLC9A1 (0.75) SLC9A1SLC9A2STK4STK3LRRK2
SCHEMBL14307261 0.86 SLC9A1 (0.61) SLC9A1SLC9A2
SCHEMBL14276901 0.84 SLC9A1 (0.61) SLC9A1SLC9A2
SCHEMBL14276900 0.83 SLC9A1 (0.58) SLC9A1SLC9A2KIT
SCHEMBL14276743 0.81 SLC9A1 (0.74) SLC9A1SLC9A2
SCHEMBL14276744 0.80 SLC9A1 (0.75) SLC9A1SLC9A2
SCHEMBL14276735 0.77 SLC9A1 (0.83) SLC9A1SLC9A2KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 — — US disclosed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 — — US disclosed
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