SCHEMBL30050566

SCHEMBL30050566

COc1c(N)cccc1-c1cc(P(=O)(C2CC2)C2CC2)n(C)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TYK2 P29597 2/20 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
SCHEMBL26983719 1.00 PIM1 (0.33) PIM1PIM3PIM2PARP1DDB1
SCHEMBL30780279 0.92 PARP1 (0.31) PIM1PIM3PIM2PARP1
SCHEMBL26983732 0.85 KDM4E (0.31) PARP1KDM4ELMNANPC1RAB9A
SCHEMBL30119787 0.84 PARP1 (0.35) PARP1KDM4ELMNANPC1RAB9A
SCHEMBL26983725 0.83 JMJD6 (0.30) —
SCHEMBL26983763 0.81 TLR8 (0.35) PARP1KDM4ELMNANPC1RAB9A
SCHEMBL30051006 0.81 TLR8 (0.35) PARP1KDM4ELMNANPC1RAB9A
SCHEMBL29156455 0.78 JMJD6 (0.33) —
SCHEMBL26991434 0.78 TYK2 (0.43) TYK2
SCHEMBL30780297 0.77 PARP1 (0.33) PARP1KDM4ELMNA

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
EP-4551559-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2/JAK1, COMPOSITION AND APPLICATION THEREOF Accro Bioscience (HK) Limited (HK) 2025-05-14 — — EP disclosed
EP-4351562-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2, COMPOSITION AND APPLICATION THEREOF Accro Bioscience (HK) Limited (HK) 2024-04-17 — — EP disclosed
WO-2024010963-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2/JAK1, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2024-01-11 — — WO disclosed
WO-2022261524-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2022-12-15 — — WO disclosed
CN-115466289-A Compound with TYK2 inhibitory activity, pharmaceutical composition containing same, and application thereof 爱科诺生物医药(香港)有限公司 2022-12-13 — — CN disclosed
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