SCHEMBL29350898

SCHEMBL29350898

Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](C(=O)Nc2nc3ccc(CC(=O)O)cc3s2)CC1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 20/20 0.88
▸ CHKB Q9Y259 9/20 0.88

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
SCHEMBL19813959 1.00 CHKA (0.88) CHKACHKB
SCHEMBL19813958 1.00 CHKA (0.88) CHKACHKB
SCHEMBL19820635 0.94 CHKA (1.00) CHKACHKB
SCHEMBL21176065 0.94 CHKA (1.00) CHKACHKB
SCHEMBL19820700 0.92 CHKA (0.84) CHKACHKB
SCHEMBL19820633 0.92 CHKA (0.84) CHKACHKB
SCHEMBL19813940 0.89 CHKA (0.86) CHKACHKB
SCHEMBL19813938 0.89 CHKA (0.86) CHKACHKB
SCHEMBL19815165 0.88 CHKA (1.00) CHKACHKB
SCHEMBL19815167 0.88 CHKA (1.00) CHKACHKB

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
CN-109790164-B Purine and 3-deazapurine analogues as choline kinase inhibitors 内尔维亚诺医疗科学公司 2022-01-25 — — CN claimed
CN-109790164-B Purine and 3-deazapurine analogues as choline kinase inhibitors 内尔维亚诺医疗科学公司 2022-01-25 — — CN disclosed
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