SCHEMBL27452784

SCHEMBL27452784

Cc1cc2nccn2cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
TGFBR1 P36897 9/20 0.38
DYRK1A Q13627 2/20 0.37
KEAP1 Q14145 1/20 0.37
GRM2 Q14416 1/20 0.36
RORC P51449 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.34
TGFBR2 P37173 1/20 0.33
PDE4A P27815 1/20 0.33
PDE3A Q14432 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
SCHEMBL13676389 0.85 L3MBTL1 (0.41) L3MBTL1TGFBR1DYRK1AKEAP1GRM2
SCHEMBL24231953 0.82 TGFBR1 (0.43) L3MBTL1TGFBR1DYRK1AKEAP1MEN1
SCHEMBL11985799 0.82 L3MBTL1 (0.44) L3MBTL1TGFBR1DYRK1AKEAP1RORC
SCHEMBL16581970 0.77 L3MBTL1 (0.41) L3MBTL1TGFBR1DYRK1AKEAP1RORC
SCHEMBL3323254 0.77 L3MBTL1 (0.41) L3MBTL1TGFBR1DYRK1AKEAP1RORC
SCHEMBL407441 0.77 L3MBTL1 (0.49) L3MBTL1TGFBR1DYRK1AKEAP1RORC
SCHEMBL22745442 0.77 L3MBTL1 (0.44) L3MBTL1TGFBR1DYRK1AKEAP1MEN1
SCHEMBL24087290 0.77 TGFBR1 (0.46) TGFBR1DYRK1AKEAP1GRM2MEN1
SCHEMBL24463401 0.77 TGFBR1 (0.38) TGFBR1DYRK1AKEAP1MEN1CYP1A2
Hydrochloric Acid SCHEMBL31647268 0.76 L3MBTL1 (0.47) L3MBTL1TGFBR1DYRK1AKEAP1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 EP disclosed