SCHEMBL31002406

SCHEMBL31002406

CC(C)n1ncc(-c2nccc(N)n2)c1O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ RET P07949 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ ACACA Q13085 1/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30
▸ MAP3K12 Q12852 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
SCHEMBL31002054 0.81 IRAK4 (0.36) IRAK4ADORA3ADORA2AADORA2BADORA1
SCHEMBL31192836 0.77 CYP11B2 (0.35) IRAK4ADORA3ADORA2AADORA1
SCHEMBL31002485 0.76 ALKBH1 (0.39) RETPDE1APDE1BPDE1C
SCHEMBL31002366 0.71 CYP17A1 (0.39) IRAK4
SCHEMBL23401005 0.67 RAB9A (0.39) —
SCHEMBL23401600 0.66 NPC1 (0.40) —
SCHEMBL27754726 0.66 HSP90AA1 (0.42) IRAK4
SCHEMBL23399995 0.65 CYP1A2 (0.37) —
SCHEMBL29527447 0.64 DYRK1A (0.49) ADORA2A
SCHEMBL20155368 0.63 EZH2 (0.34) RETPDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658662-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2025-12-10 — — EP disclosed
EP-4655304-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2025-12-03 — — EP disclosed
WO-2024177360-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 — — WO disclosed
WO-2024177362-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 — — WO disclosed
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