SCHEMBL31160429

SCHEMBL31160429

COC(=O)c1cnc(Cl)cc1O[C@@H](C)CCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ POLQ O75417 3/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SYK P43405 1/20 0.33

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
SCHEMBL31160319 0.82 PPARG (0.31) HTTKCNQ3KCNQ2CNR2POLQ
SCHEMBL24774262 0.80 MEN1 (0.41) ABL1KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL425641 0.77 GAA (0.53) ABL1KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL30031533 0.77 GAA (0.53) ABL1KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL31160329 0.77 LMNA (0.36) KDM4EHTTNR4A2LMNAMAPK1
SCHEMBL3654468 0.72 KCNQ3 (0.43) KDM4EALDH1A1KCNQ3KCNQ2POLQ
SCHEMBL29416286 0.72 KDM4E (0.49) ABL1KDM4EALDH1A1SMN1; SMN2NR4A2
SCHEMBL977733 0.72 KDM4E (0.49) ABL1KDM4EALDH1A1SMN1; SMN2NR4A2
SCHEMBL28369496 0.71 KDM4E (0.49) ABL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL24584511 0.71 GABRP (0.42) KDM4EALDH1A1LMNACHEK1KCNH2

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 2 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
WO-2024177359-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 — — WO disclosed
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