SCHEMBL10525532

SCHEMBL10525532

CCNc1nc2c(c3cccnc13)CCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ KAT2B Q92831 5/20 0.35
▸ CRBN Q96SW2 5/20 0.35
▸ DDB1 Q16531 4/20 0.35
▸ CCNB2 O95067 3/20 0.33
▸ CDK1 P06493 3/20 0.33
▸ CCNB1 P14635 3/20 0.33
▸ CCNB3 Q8WWL7 3/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ GSK3A P49840 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL10526786 0.91 UTS2R (0.41) UTS2RIDO1KAT2BELANETLR8
SCHEMBL10527105 0.89 TLR8 (0.46) UTS2RKAT2BELANETLR8TLR7
SCHEMBL10527877 0.86 KAT2B (0.37) KAT2BCRBNDDB1CCNB2CDK1
SCHEMBL10526370 0.84 IDO1 (0.39) IDO1KAT2BCRBNDDB1CCNB2
SCHEMBL10526729 0.79 IDO1 (0.36) UTS2RIDO1KAT2BCRBNDDB1
SCHEMBL10526800 0.79 ALDH1A1 (0.37) CRBNDDB1CCNB2CDK1CCNB1
SCHEMBL10526975 0.78 CCNB2 (0.42) CRBNDDB1CCNB2CDK1CCNB1
SCHEMBL10527413 0.77 CCNB2 (0.37) CRBNDDB1CCNB2CDK1CCNB1
SCHEMBL10527139 0.77 CRBN (0.37) CRBNDDB1CCNB2CDK1CCNB1
SCHEMBL10526790 0.76 KAT2B (0.35) UTS2RIDO1KAT2B

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
US-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 — — US disclosed
EP-0253171-A1 Pyrido[1,8]naphthyridinones, process for their preparation and their use and compositions containing them Beiersdorf-Lilly GmbH (DE) 1988-01-20 — — EP disclosed
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