SCHEMBL31002367

SCHEMBL31002367

Cc1nn(C)c(OCc2ccccc2)c1-c1nccc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 2/20 0.40
▸ ATP4B P51164 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ LTA4H P09960 1/20 0.35

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
SCHEMBL31002058 0.77 PRMT5 (0.45) ATP4AATP4BPKMCYP1A2DYRK1A
SCHEMBL31002398 0.72 MAPT (0.37) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL31002064 0.71 PKM (0.47) ATP4AATP4BMAPTPKML3MBTL1
SCHEMBL31192966 0.71 DYRK1A (0.36) ATP4AATP4BADORA3ADORA2AKDM5A
SCHEMBL31002485 0.70 ALKBH1 (0.39) ATP4AATP4BKDM5AKDM4CDYRK1A
SCHEMBL31530950 0.68 NPC1 (0.49) MAPTDYRK1ANPC1RAB9AHTT
SCHEMBL6644771 0.67 LTA4H (0.49) ATP4AATP4BMAPTL3MBTL1CYP1A2
SCHEMBL31192978 0.66 PRMT5 (0.46) ATP4AATP4BMAPTL3MBTL1CYP1A2
SCHEMBL31530982 0.65 CYP19A1 (0.46) LTA4HMAPK14POLBMPOALDH1A1
SCHEMBL13860622 0.65 PKM (0.60) ATP4AATP4BMAPTPKMADORA3

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-2024177362-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
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