SCHEMBL29539043

SCHEMBL29539043

CC(COP(=O)(O)CP(=O)(O)O)n1cnc2c(NCc3ccccc3)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 8/20 0.61
▸ CCNB2 O95067 7/20 0.61
▸ CCNB1 P14635 7/20 0.61
▸ CCNB3 Q8WWL7 7/20 0.61
▸ CDK2 P24941 2/20 0.61
▸ NT5E P21589 7/20 0.57
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DNPH1 O43598 1/20 0.48
▸ TMIGD3 P0DMS9 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ MNAT1 P51948 1/20 0.46

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
SCHEMBL19100489 1.00 CDK1 (0.61) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL21450235 0.85 NT5E (0.54) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22843545 0.83 CDK1 (0.54) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19370351 0.81 NT5E (0.50) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19100815 0.80 RAB9A (0.57) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL21316709 0.80 CDK1 (0.81) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22843495 0.79 CDK2 (0.49) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL21348733 0.78 TMIGD3 (0.58) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19370287 0.78 CCNB2 (0.47) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL754120 0.77 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912510-A Modulators of extracellular 5' -nucleotidases and uses thereof 艾库斯生物科学有限公司 2025-05-02 — — CN disclosed
CN-114395005-B Modulators of extracellular 5' -nucleotidases and uses thereof 艾库斯生物科学有限公司 2024-12-31 — — CN disclosed
CN-108697719-B Modulators of extracellular 5' -nucleotidases and uses thereof 艾库斯生物科学有限公司 2024-03-19 — — CN disclosed
CN-114395005-A Modulators of extracellular 5' -nucleotidase and uses thereof 艾库斯生物科学有限公司 2022-04-26 — — CN disclosed
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