SCHEMBL30254529

SCHEMBL30254529

O=C(Nc1ccc(Br)nc1Br)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC7 Q8WUI4 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36

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
SCHEMBL23885406 1.00 CA2 (0.39) CA2SMN1; SMN2TP53MAPTJAK2
SCHEMBL3220102 0.85 CA2 (0.38) CA2SMN1; SMN2TP53MAPTJAK2
SCHEMBL30254317 0.83 SMN1; SMN2 (0.43) CA2SMN1; SMN2TP53MAPTJAK2
SCHEMBL31263190 0.83 SMN1; SMN2 (0.37) CA2SMN1; SMN2TP53MAPTJAK2
SCHEMBL23885689 0.83 SMN1; SMN2 (0.43) CA2SMN1; SMN2TP53MAPTJAK2
SCHEMBL23885291 0.83 CA2 (0.41) CA2SMN1; SMN2TP53MAPTJAK2
SCHEMBL30254414 0.83 CA2 (0.41) CA2SMN1; SMN2TP53MAPTJAK2
SCHEMBL3226137 0.83 CYP1A2 (0.42) SMN1; SMN2MAPTPDK1PDK2PDK3
SCHEMBL22632771 0.83 L3MBTL1 (0.46) SMN1; SMN2TP53MAPTHTTMEN1
SCHEMBL29414711 0.83 L3MBTL1 (0.46) SMN1; SMN2TP53MAPTHTTMEN1

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-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 — — EP disclosed
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