SCHEMBL28564259

SCHEMBL28564259

CCCCCCCCCCCCCCCCCc1nc(C(CCCCCC)c2nc(N)nc(N)n2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
GPR84 Q9NQS5 4/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
PDPK1 O15530 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
SCHEMBL28564250 1.00 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL28569876 1.00 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL28563248 1.00 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL28560955 0.97 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL28566396 0.97 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL28575208 0.96 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL28569882 0.96 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL28580548 0.92 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL28577394 0.92 DHFR (0.36) DHFRALDH1A1PKMHPGDPI4KA
SCHEMBL31531724 0.90 CDK1 (0.34) DHFRCDK1CCNB1

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
CN-112724596-B Curable composition and cured product 盛势达技研株式会社 2025-04-18 CN disclosed
CN-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed