SCHEMBL22990588

SCHEMBL22990588

O=C(Nc1ncnc2c1ncn2[C@H](O)CCCCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 5/20 0.41
▸ CCNB1 P14635 5/20 0.41
▸ CCNB2 O95067 3/20 0.41
▸ CCNB3 Q8WWL7 3/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ BRD4 O60885 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ CSF1R P07333 1/20 0.37

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
SCHEMBL15426097 0.83 CCNB2 (0.42) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL30504220 0.81 CCNB2 (0.39) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL22571176 0.80 CCNB2 (0.46) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2718523 0.80 CDK1 (0.59) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL22571188 0.79 CCNB2 (0.44) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL20052944 0.77 AHCY (0.43) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL9702446 0.77 CYP1A2 (0.51) CDK1HTTADORA1ADORA3ADORA2A
SCHEMBL26230985 0.76 CCNB2 (0.45) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL24722333 0.76 CCNB2 (0.41) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL20052009 0.76 CCNB2 (0.44) CDK1CCNB1CCNB2CCNB3CDK2

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
EP-3512861-B1 CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-02-17 — — EP disclosed
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