SCHEMBL28019341

SCHEMBL28019341

Cc1ccccc1-c1ncccc1-c1ccc2nc(N)ncc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.78
KDR P35968 6/20 0.78
JAK3 P52333 5/20 0.78
MAPK14 Q16539 5/20 0.78
CTSD P07339 1/20 0.51
BACE1 P56817 1/20 0.51
PIK3C2B O00750 1/20 0.48
KIT P10721 4/20 0.47
SRC P12931 4/20 0.47
BRAF P15056 1/20 0.47
TEK Q02763 3/20 0.45
ADORA2A P29274 2/20 0.44
TGFBR1 P36897 2/20 0.43
ADORA1 P30542 2/20 0.41
PDE1B Q01064 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE10A Q9Y233 1/20 0.41
DHFR P00374 1/20 0.41

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
SCHEMBL5494575 0.88 LCK (1.00) LCKKDRJAK3MAPK14CTSD
SCHEMBL28019339 0.86 LCK (0.64) LCKKDRJAK3MAPK14CTSD
SCHEMBL5496119 0.85 LCK (0.66) LCKKDRJAK3MAPK14CTSD
SCHEMBL15637197 0.83 LCK (0.60) LCKKDRJAK3MAPK14PIK3C2B
SCHEMBL15638437 0.83 LCK (0.60) LCKKDRJAK3MAPK14PIK3C2B
SCHEMBL28018837 0.81 LCK (0.50) LCKKDRJAK3MAPK14CTSD
SCHEMBL28019352 0.79 DHFR (0.60) LCKKDRJAK3MAPK14ADORA2A
SCHEMBL4733367 0.78 LCK (0.70) LCKKDRJAK3MAPK14KIT
SCHEMBL30494215 0.78 LCK (0.70) LCKKDRJAK3MAPK14KIT
SCHEMBL28019364 0.77 TGFBR1 (0.63) LCKKDRJAK3MAPK14CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed