SCHEMBL8160381

SCHEMBL8160381

CCCCCC(CC)c1nc(-c2nc(N)nc(N)n2)c[nH]1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ NR1I2 O75469 1/20 0.30

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
SCHEMBL9007777 0.99 CDK1 (0.33) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8154022 0.96 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8158896 0.90 — —
SCHEMBL8158698 0.87 KDM4E (0.33) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1198712 0.77 CDK1 (0.32) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4814520 0.70 TLR8 (0.40) —
SCHEMBL4817122 0.69 TLR8 (0.39) —
SCHEMBL4817608 0.69 TLR8 (0.42) —
SCHEMBL157393 0.67 NOS2 (0.36) PDPK1
SCHEMBL1691872 0.67 GPR84 (0.40) NR1I2

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-1036815-A1 FLAME RETARDANT FOR STYRENE RESINS AND FLAME-RETARDANT STYRENE RESIN COMPOSITION CHISSO CORPORATION (JP) 2000-09-20 — — EP disclosed
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