SCHEMBL31002064

SCHEMBL31002064

Cc1nn(C)c(OCc2ccccc2)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CYP1A2 P05177 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL29339715 0.77 TSHR (0.46) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL31002249 0.73 PKM (0.44) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL31002447 0.73 DGAT1 (0.44) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL31002367 0.71 ATP4A (0.40) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL26353196 0.70 PKM (0.59) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL19615148 0.69 BRD4 (0.43) PKMSMN1; SMN2RAB9AMAPK1MAPT
SCHEMBL21737391 0.68 ADORA2A (0.31) SMN1; SMN2
SCHEMBL13860622 0.68 PKM (0.60) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL31002325 0.68 KDM5A (0.52) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL8854236 0.67 PTGDR2 (0.48) PKML3MBTL1SMN1; SMN2NPC1RAB9A

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-4658661-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2025-12-10 — — EP disclosed
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-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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