SCHEMBL31002249

SCHEMBL31002249

Cn1ncc(I)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CYP1A2 P05177 6/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP2C19 P33261 4/20 0.39
CYP2D6 P10635 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
APP P05067 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.38
CASP1 P29466 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
SCHEMBL31192827 0.81 CYP1A2 (0.39) PKMCYP1A2ALDH1A1TSHRCLK4
SCHEMBL23087256 0.81 PRMT5 (0.45) PKMPRMT5WDR77CYP1A2ALDH1A1
SCHEMBL31002493 0.80 LMNA (0.42) PKMCYP1A2ALDH1A1TSHRCLK4
SCHEMBL31710662 0.79 KMT2A (0.40) ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL28642215 0.78 ALDH1A1 (0.43) PKMPRMT5WDR77CYP1A2ALDH1A1
SCHEMBL14318903 0.77 CYP1A2 (0.45) PKMPRMT5WDR77CYP1A2ALDH1A1
SCHEMBL5883689 0.77 ALKBH1 (0.51) PKMPRMT5WDR77CYP1A2ALDH1A1
SCHEMBL25579296 0.76 HRH3 (0.39) CYP2D6NPC1RAB9AAPP
SCHEMBL31002522 0.75 CYP1A2 (0.34) CYP1A2ALDH1A1TSHRCLK4CYP2C19
SCHEMBL15675325 0.75 BRD4 (0.46) CYP1A2ALDH1A1TSHRCYP2C19MAPT

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