SCHEMBL14276742

SCHEMBL14276742

Cc1[nH]cnc1C1CCN(c2ncncc2-c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 19/20 1.00
▸ SLC9A2 Q9UBY0 1/20 0.50
▸ CDC7 O00311 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ PRKCG P05129 1/20 0.45
▸ INSR P06213 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ MET P08581 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
SCHEMBL14276728 0.91 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276734 0.89 SLC9A1 (1.00) SLC9A1SLC9A2STK3
SCHEMBL14276730 0.89 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276725 0.89 SLC9A1 (0.84) SLC9A1SLC9A2
SCHEMBL14276729 0.88 SLC9A1 (1.00) SLC9A1SLC9A2
SCHEMBL14276812 0.88 SLC9A1 (1.00) SLC9A1SLC9A2STK3
SCHEMBL14276820 0.88 SLC9A1 (0.78) SLC9A1SLC9A2
SCHEMBL14276825 0.87 SLC9A1 (0.81) SLC9A1SLC9A2
SCHEMBL14276818 0.87 SLC9A1 (0.78) SLC9A1SLC9A2
SCHEMBL14276731 0.86 SLC9A1 (1.00) SLC9A1

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