SCHEMBL30119787

SCHEMBL30119787

COc1c(N)cccc1-c1cc(P(C)(C)=O)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ATM Q13315 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TLR8 Q9NR97 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL30051006 0.86 TLR8 (0.35) PARP1KDM4ELMNAATMNPC1
SCHEMBL26983763 0.86 TLR8 (0.35) PARP1KDM4ELMNAATMNPC1
SCHEMBL30050566 0.84 PIM1 (0.33) PARP1KDM4ELMNAATMNPC1
SCHEMBL26983719 0.84 PIM1 (0.33) PARP1KDM4ELMNAATMNPC1
SCHEMBL26983733 0.82 PARP1 (0.33) PARP1KDM4ELMNAROCK2ROCK1
SCHEMBL30780297 0.82 PARP1 (0.33) PARP1KDM4ELMNAROCK2ROCK1
SCHEMBL26983720 0.82 — —
SCHEMBL26983707 0.81 MEN1 (0.32) MAPTMEN1POLBKMT2A
SCHEMBL30119774 0.81 DYRK1A (0.30) —
SCHEMBL30780279 0.77 PARP1 (0.31) PARP1

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
EP-4351562-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2, COMPOSITION AND APPLICATION THEREOF Accro Bioscience (HK) Limited (HK) 2024-04-17 — — EP disclosed
WO-2022261524-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2022-12-15 — — WO disclosed
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