SCHEMBL14208239

SCHEMBL14208239

CC(=O)Nc1ncc(Br)cc1C#CS(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.35
DYRK1B Q9Y463 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
PTGS2 P35354 1/20 0.30
PIK3C3 Q8NEB9 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
SCHEMBL1516634 0.82 DYRK1A (0.36) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL12762851 0.81 DYRK1A (0.35) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL4099333 0.80 DYRK1A (0.41) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL14231805 0.75 DYRK1A (0.39) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL18458801 0.74 LMNA (0.30) LMNA
SCHEMBL11637557 0.74 MAPT (0.51) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL4098480 0.72 DYRK1A (0.42) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL760353 0.72 NPC1 (0.48) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL1433126 0.72 DYRK1A (0.42) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL1516710 0.71 DYRK1A (0.43) DYRK1ADYRK1BL3MBTL1NPC1KCNH2

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
US-7361763-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed