SCHEMBL29805906

SCHEMBL29805906

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n1)CNCC2

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 14/20 0.77
▸ ALK Q9UM73 6/20 0.71
▸ INSR P06213 3/20 0.66
▸ IGF1R P08069 1/20 0.66

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
SCHEMBL20214436 1.00 MAP4K1 (0.77) MAP4K1ALKINSRIGF1R
SCHEMBL20214556 1.00 MAP4K1 (0.77) MAP4K1ALKINSRIGF1R
SCHEMBL24040087 0.90 MAP4K1 (0.85) MAP4K1ALKINSRIGF1R
SCHEMBL24040051 0.90 MAP4K1 (0.85) MAP4K1ALKINSRIGF1R
SCHEMBL30183975 0.90 MAP4K1 (0.62) MAP4K1ALKINSRIGF1R
SCHEMBL25337779 0.90 MAP4K1 (0.62) MAP4K1ALKINSRIGF1R
SCHEMBL25338542 0.89 MAP4K1 (0.61) MAP4K1ALKINSR
SCHEMBL20214585 0.87 MAP4K1 (1.00) MAP4K1ALKINSRIGF1R
SCHEMBL30184145 0.87 ALK (0.62) MAP4K1ALKINSR
SCHEMBL24039925 0.86 MAP4K1 (0.72) MAP4K1ALKINSRIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118976029-A Pharmaceutical composition for preventing or treating parkinson's disease or nonalcoholic steatohepatitis 韩国化学研究院 2024-11-19 — — CN claimed
CN-114829344-A Novel pyrimidine derivative and use thereof 韩国化学研究院 2022-07-29 — — CN claimed
CN-118976029-A Pharmaceutical composition for preventing or treating parkinson's disease or nonalcoholic steatohepatitis 韩国化学研究院 2024-11-19 — — CN disclosed
CN-114829344-B Pyrimidine derivatives and pharmaceutical compositions containing the same 韩国化学研究院 2024-08-13 — — CN disclosed
CN-114829344-A Novel pyrimidine derivative and use thereof 韩国化学研究院 2022-07-29 — — CN disclosed
Send feedback