SCHEMBL24335917

SCHEMBL24335917

COc1ccc(C)cc1-c1ccc2nc(N)ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 4/20 0.58
▸ KDR P35968 2/20 0.58
▸ JAK3 P52333 2/20 0.58
▸ MAPK14 Q16539 1/20 0.58
▸ DHFR P00374 4/20 0.50
▸ ADORA1 P30542 2/20 0.47
▸ KIT P10721 3/20 0.46
▸ SRC P12931 3/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ FYN P06241 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
SCHEMBL5494305 0.88 LCK (0.56) LCKKDRJAK3MAPK14DHFR
SCHEMBL19943434 0.78 LCK (0.53) LCKKDRJAK3MAPK14DHFR
SCHEMBL2632884 0.78 LCK (0.57) LCKKDRJAK3MAPK14ADORA1
SCHEMBL5489026 0.77 LCK (0.55) LCKKDRJAK3MAPK14DHFR
SCHEMBL5504803 0.75 MAPK14 (0.55) LCKKDRJAK3MAPK14KIT
SCHEMBL16676911 0.75 FGFR4 (0.66) LCKKDRJAK3MAPK14KIT
SCHEMBL17803857 0.75 LCK (0.62) LCKKDRJAK3MAPK14ADORA1
SCHEMBL24336001 0.74 BRAF (0.55) LCKKDRJAK3MAPK14ADORA1
SCHEMBL24457804 0.73 BRAF (0.47) LCKKDRJAK3MAPK14DHFR
SCHEMBL21153337 0.73 FGFR4 (0.57) LCKKDRJAK3MAPK14KIT

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-3395814-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2022-04-06 — — EP disclosed
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