SCHEMBL29707948

SCHEMBL29707948

NCC(N)c1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
NCF1 P14598 1/20 0.45
GRM4 Q14833 1/20 0.43
PARP1 P09874 1/20 0.42
GAK O14976 1/20 0.41
AAK1 Q2M2I8 3/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
GSK3A P49840 4/20 0.39
GSK3B P49841 4/20 0.39
CLK4 Q9HAZ1 4/20 0.39
DYRK1A Q13627 3/20 0.39
PRKD3 O94806 2/20 0.39
MAP4K4 O95819 2/20 0.39
KDR P35968 2/20 0.39
AURKB Q96GD4 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39
DYRK3 O43781 2/20 0.39
STK17A Q9UEE5 2/20 0.39
CLK2 P49760 2/20 0.39

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
SCHEMBL3524941 1.00 ADRB2 (0.45) ADRB2NCF1GRM4PARP1GAK
SCHEMBL16013596 0.90 ADRB2 (0.44) ADRB2NCF1GRM4PARP1GAK
SCHEMBL5548218 0.88 CCNC (0.45) ADRB2NCF1GRM4GAKAAK1
SCHEMBL8909568 0.85 ADRB2 (0.41) ADRB2NCF1GRM4PARP1GAK
SCHEMBL5018907 0.80 ADRB2 (0.48) ADRB2NCF1GRM4PARP1GAK
SCHEMBL5275609 0.77 NR4A2 (0.56)
SCHEMBL24339331 0.75 ADRB2 (0.49) ADRB2NCF1GRM4PARP1GAK
SCHEMBL30174521 0.75 ADRB2 (0.49) ADRB2NCF1GRM4PARP1GAK
SCHEMBL1980284 0.74 NR4A2 (0.56) ADRB2NCF1GRM4PARP1GAK
SCHEMBL9829215 0.74 ADRB2 (0.51) ADRB2NCF1GRM4PARP1GAK

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-4022058-A2 COMPOSITIONS FOR TRANSFER OF CARGO TO CELLS Sixfold Bioscience Ltd. (GB) 2022-07-06 EP disclosed