SCHEMBL31002417

SCHEMBL31002417

Nc1ccnc(-c2cnn(CC(F)(F)F)c2OCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALKBH1 Q13686 1/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ MPO P05164 1/20 0.32
▸ GUCY1B2 O75343 1/20 0.32

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
SCHEMBL31192966 0.85 DYRK1A (0.36) ADORA2ATSHRALKBH1LTA4HMAPK14
SCHEMBL31002058 0.81 PRMT5 (0.45) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL31002485 0.78 ALKBH1 (0.39) TSHRALKBH1FEN1LTA4HMAPK14
SCHEMBL31002366 0.77 CYP17A1 (0.39) CYP1A2PTGS2CYP17A1GUCY1B2GUCY1A2
SCHEMBL31002522 0.74 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL31530982 0.69 CYP19A1 (0.46) CYP3A4CYP2C9LTA4HMAPK14MPO
SCHEMBL31002418 0.67 KDM4C (0.43) CYP1A2CYP2C19LTA4HMAPK14PTGS2
SCHEMBL31002367 0.66 ATP4A (0.40) ADORA2ACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL30688977 0.66 ADORA2A (0.32) ADORA2ACYP11B2
SCHEMBL29127729 0.66 ADORA2A (0.32) ADORA2ACYP11B2

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-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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