SCHEMBL14039495

SCHEMBL14039495

CC(OC(C(=O)NC1CC1)C(O)CO)n1cnc2c(N)nc(I)nc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LARS1 Q9P2J5 1/20 0.39
▸ SARS1 P49591 1/20 0.39
▸ IARS1 P41252 1/20 0.37
▸ ADORA3 P0DMS8 6/20 0.36
▸ CDK2 P24941 4/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ MARS1 P56192 1/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ CCNE1 P24864 3/20 0.33
▸ CCNE2 O96020 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ NT5E P21589 1/20 0.33

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
SCHEMBL12374009 0.83 SARS1 (0.40) LARS1SARS1IARS1ADORA3MARS1
SCHEMBL14393325 0.83 SARS1 (0.40) LARS1SARS1IARS1ADORA3MARS1
SCHEMBL12374825 0.71 ADORA2A (0.51) IARS1ADORA3ADORA1ADORA2A
SCHEMBL12009914 0.71 ADORA2A (0.36) ADORA3ADORA1ADORA2A
SCHEMBL12009920 0.71 ADORA2A (0.35) ADORA2A
SCHEMBL12374999 0.71 ADORA2A (0.59) IARS1ADORA3ADORA1ADORA2A
SCHEMBL12009925 0.70 ADORA2A (0.35) ADORA2A
SCHEMBL14393328 0.69 MEN1 (0.40) LARS1SARS1IARS1ADORA3CDK2
SCHEMBL3478702 0.69 MEN1 (0.40) LARS1SARS1IARS1ADORA3CDK2
SCHEMBL12374837 0.69 MEN1 (0.33) ADORA3ADORA1ADORA2A

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-2008130520-A1 THERAPEUTIC AGENT FOR GLAUCOMA CONTAINING ADENOSINE DERIVATIVE AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD (JP) 2008-10-30 — — WO disclosed
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