SCHEMBL28753785

SCHEMBL28753785

CC(C)(O)C(=O)N1CCN(Cc2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.61
▸ JAK2 O60674 3/20 0.61
▸ PRKAA2 P54646 4/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ FAAH O00519 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ FASN P49327 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.42
▸ LTA4H P09960 1/20 0.42

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
SCHEMBL28753755 0.83 ABCG2 (0.55) SYKJAK2PRKAA2ABCG2ALDH1A1
SCHEMBL27965372 0.79 JAK2 (0.52) SYKJAK2ABCG2ALDH1A1LMNA
SCHEMBL14717035 0.76 SYK (1.00) SYKJAK2
SCHEMBL20357748 0.75 JAK2 (0.56) SYKJAK2PRKAA2ABCG2ALDH1A1
SCHEMBL28227359 0.70 ROCK2 (0.61) SYKJAK2ABCG2ALDH1A1
SCHEMBL2422608 0.69 ABCG2 (0.72) ABCG2ALDH1A1KMT2AMEN1LMNA
SCHEMBL15652315 0.68 LMNA (0.55) SYKJAK2ALDH1A1KMT2ALMNA
SCHEMBL15976950 0.67 CYP1A2 (0.48) ALDH1A1KMT2ALMNA
SCHEMBL15568151 0.67 FAAH (0.62) FAAH
SCHEMBL23906211 0.67 GSK3B (0.47) JAK2ALDH1A1

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-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 — — CN claimed
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 — — CN disclosed
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