SCHEMBL29936178

SCHEMBL29936178

Fc1c(Br)ccc2ncnc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DYRK1A Q13627 2/20 0.35
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 4/20 0.32
DYRK1B Q9Y463 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL26697745 1.00 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL17652166 0.78 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL30775557 0.78 MAP4K4 (0.40) LMNASMN1; SMN2ALDH1A1EGFRKDM4E
SCHEMBL15578362 0.74 LRRK2 (0.30) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9267455 0.73 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL31113992 0.73 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL18449614 0.73 TNF (0.33)
SCHEMBL28455625 0.71 EGFR (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL28501805 0.70 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL31727757 0.70 SMN1; SMN2 (0.34) LMNASMN1; SMN2ALDH1A1MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 EP disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
WO-2022221227-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2022-10-20 WO disclosed