SCHEMBL31002054

SCHEMBL31002054

Cn1ncc(-c2nccc(N)n2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CDC7 O00311 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ PRKD3 O94806 2/20 0.31
▸ PRKD1 Q15139 2/20 0.31
▸ PRKD2 Q9BZL6 2/20 0.31
▸ GRB2 P62993 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ DYRK1A Q13627 2/20 0.30
▸ WNT1 P04628 1/20 0.30
▸ CLK2 P49760 1/20 0.30
▸ CLK3 P49761 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
SCHEMBL31002406 0.81 IRAK4 (0.34) IRAK4ADORA2AADORA2BADORA1ADORA3
SCHEMBL31192836 0.81 CYP11B2 (0.35) IRAK4ADORA2AADORA1KDM4EALDH1A1
SCHEMBL31192917 0.75 NOS3 (0.35) KDM4EALDH1A1
SCHEMBL31192892 0.75 PI4KA (0.33) KDM4EALDH1A1USP7
SCHEMBL31002366 0.75 CYP17A1 (0.39) IRAK4
SCHEMBL31192953 0.74 PI4KA (0.32) —
SCHEMBL30688976 0.73 IRAK4 (0.31) IRAK4ADORA2AALDH1A1
SCHEMBL31192947 0.72 ASIC3 (0.41) IRAK4CDC7KDM4EALDH1A1POLB
SCHEMBL31002058 0.72 PRMT5 (0.45) ALDH1A1DYRK1A
SCHEMBL31002398 0.71 MAPT (0.37) IRAK4KDM4EALDH1A1GRB2BRD4

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 6 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-4658661-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-2024177359-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 — — WO 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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